SCHEMBL9918976

SCHEMBL9918976

Cc1cc(Cl)c(C)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.46
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.37
RAPGEF4 Q8WZA2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PTGS2 P35354 4/20 0.33
PTGS1 P23219 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GPR3 P46089 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8860053 0.89 CD44 (0.46) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7062222 0.86 CD44 (0.48) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13973185 0.86 CD44 (0.36) CD44CYP3A4RAPGEF4PTGS2GPR3
SCHEMBL6951667 0.83 RAPGEF4 (0.38) CD44CYP3A4LMNARAPGEF4SMN1; SMN2
SCHEMBL762587 0.83 KDM1A (0.39) CD44CYP3A4LMNARAPGEF4SMN1; SMN2
SCHEMBL7550920 0.83 CD44 (0.46) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11043190 0.83 CD44 (0.46) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL120848 0.82 CD44 (0.61) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL261036 0.82 ACHE (0.42) CYP3A4RAPGEF4ALDH1A1PTGS2GPR3
SCHEMBL3874093 0.80 RAPGEF4 (0.39) CD44CYP3A4LMNARAPGEF4SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 163 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026433-A2 NOVEL DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-02-01 WO disclosed
US-20230046859-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2023-02-16 US disclosed
EP-3854782-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2021-07-28 EP disclosed
WO-2020228685-A9 FLUORINE-CONTAINING COMPOUND AND ANTI-CANCER MEDICAL USE THEREOF 深圳艾欣达伟医药科技有限公司 2021-02-18 WO disclosed
WO-2020228685-A1 FLUORINE-CONTAINING COMPOUND AND ANTI-CANCER MEDICAL USE THEREOF 深圳艾欣达伟医药科技有限公司 2020-11-19 WO disclosed
US-10676669-B2 Compound having naphthalene ring, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-06-09 US disclosed
US-10654808-B2 Tyrosine kinase inhibitor and pharmaceutical composition comprising same Guangdong Raynovent Biotech Co., Ltd. (CN) 2020-05-19 US disclosed
WO-2020012357-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2020-01-16 WO disclosed
EP-2987790-B1 LIQUID CRYSTAL COMPOUND HAVING XANTHENE SKELETON AND EXHIBITING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2019-08-28 EP disclosed
US-10358602-B2 Liquid crystal compound having polyfluoro-2-butenoxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-07-23 US disclosed
US-7435455-B2 Dihydrocoumarin derivative, liquid crystal composition containing the same, and liquid crystal display device CHISSO CORPORATION (JP) 2008-10-14 US disclosed
US-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer BAYER HEALTHCARE LLC 2008-09-04 US disclosed
US-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer BAYER HEALTHCARE LLC 2008-09-04 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
EP-1762605-A1 Naphthalene compound with terminal hydrogen, liquid crystal composition including the compound, and LCD device including the liquid crystal composition Chisso Petrochemial Corporation (JP) 2007-03-14 EP disclosed
US-20070051919-A1 NAPHTHALENE COMPOUND WITH TERMINAL HYDROGEN, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND, AND LCD DEVICE INCLUDING THE LIQUID CRYSTAL COMPOSITION CHISSO PETROCHEMICAL CORPORATION (JP) 2007-03-08 US disclosed
US-20070051919-A1 NAPHTHALENE COMPOUND WITH TERMINAL HYDROGEN, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND, AND LCD DEVICE INCLUDING THE LIQUID CRYSTAL COMPOSITION CHISSO PETROCHEMICAL CORPORATION (JP) 2007-03-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070051919-A1 NAPHTHALENE COMPOUND WITH TERMINAL HYDROGEN, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND, AND LCD DEVICE INCLUDING THE LIQUID CRYSTAL COMPOSITION LEF1, CFD, FOXO1 CD44 4517/4885GRIN2D 1126/4885GRIN3B 4418/4885
US-10654808-B2 Tyrosine kinase inhibitor and pharmaceutical composition comprising same ABL1, LCK, ERBB2 CD44 2314/4885GRIN2D 3947/4885GRIN3B 2180/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 CD44 3257/4885GRIN2D 3579/4885GRIN3B 3041/4885
US-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer UMPS, SLC14A1, TP53 CD44 3247/4885GRIN2D 4791/4885GRIN3B 4383/4885
US-20230046859-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 CD44 4766/4885GRIN2D 1425/4885GRIN3B 2526/4885
US-10676669-B2 Compound having naphthalene ring, liquid crystal composition and liquid crystal display device PYM1, CXCR1, CPNE4 CD44 4792/4885GRIN2D 1341/4885GRIN3B 4459/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.