SCHEMBL1004002

SCHEMBL1004002

Cc1cc(Cl)c(C)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
RAPGEF4 Q8WZA2 6/20 0.36
CD44 P16070 1/20 0.35
NMT1 P30419 1/20 0.35
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL1755250 0.84 RAPGEF4 (0.41) ACHEALDH1A1TSHRRAPGEF4CD44
SCHEMBL1751110 0.83 NMT1 (0.50) ALDH1A1TSHRCD44NMT1MAPT
SCHEMBL29434817 0.80 ALDH1A1 (0.46) ALDH1A1TSHRCD44MAPTNPC1
SCHEMBL764794 0.80 RAPGEF4 (0.37) ACHERAPGEF4HTTKMT2AMEN1
SCHEMBL17864586 0.80 ACHE (0.65) ACHEALDH1A1TSHRMAPTKMT2A
SCHEMBL2963949 0.80 ALDH1A1 (0.46) ALDH1A1TSHRCD44MAPTNPC1
SCHEMBL900938 0.79 ALDH1A1 (0.53) ALDH1A1TSHRRAPGEF4
SCHEMBL98117 0.79 ALDH1A1 (0.53) ALDH1A1TSHRRAPGEF4CD44HTT
SCHEMBL28514732 0.76 ALDH1A1 (0.50) ALDH1A1TSHRRAPGEF4CD44HTT
SCHEMBL8234689 0.76 ALDH1A1 (0.35) ACHEALDH1A1TSHRRAPGEF4CD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
EP-4327884-A2 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASES Origenis GmbH (DE) 2024-02-28 EP disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-20230313043-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
US-20230313043-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
WO-2023117724-A1 ISOTHIOCYANATOETHYNYLBENZENE DERIVATIVES MERCK PATENT GMBH (DE) 2023-06-29 WO disclosed
US-20230126391-A1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO[4.3.1] DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS Technische Universität Darmstadt (DE) 2023-04-27 US disclosed
EP-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 EP disclosed
US-20050215807-A1 Silsesquioxane derivative JNC CORPORATION (JP) 2005-09-29 US disclosed
EP-1550664-A1 SILICON COMPOUND CHISSO CORPORATION (JP) 2005-07-06 EP disclosed
EP-1548020-A1 SILICON COMPOUND CHISSO CORPORATION (JP) 2005-06-29 EP disclosed
US-20050033077-A1 Production process for silicon compound and the same JNC CORPORATION (JP) 2005-02-10 US disclosed
US-20040249103-A1 Silsesquioxane derivatives and process for production thereof JNC CORPORATION (JP) 2004-12-09 US disclosed
EP-1428795-A1 SILSESQUIOXANE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF CHISSO CORPORATION (JP) 2004-06-16 EP disclosed
US-20040068074-A1 Production process for silsesquioxane derivative having functional group and silsesquioxane derivative JNC CORPORATION (JP) 2004-04-08 US disclosed
US-20040030084-A1 Production process for silsesquioxane derivative and silsesquioxane derivative JNC CORPORATION (JP) 2004-02-12 US disclosed
WO-2001083420-A2 METHOD OF MAKING SUBSTITUTED DIHALO AROMATIC ACID CHLORIDES OCCIDENTAL CHEMICAL CORPORATION (US) 2001-11-08 WO disclosed
WO-1990003356-A1 METHOD FOR THE DECOLORIZATION OF CHLORO-XYLENE COMPOSITIONS OCCIDENTAL CHEMICAL CORPORATION (US) 1990-04-05 WO 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 (4 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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 ACHE 1877/4885ALDH1A1 1864/4885TSHR 3948/4885
US-20050215807-A1 Silsesquioxane derivative STS, SFXN1, SULT1A1 ACHE 3031/4885ALDH1A1 535/4885TSHR 4284/4885
US-20050033077-A1 Production process for silicon compound and the same STS, SMS, SFXN1 ACHE 1605/4885ALDH1A1 1081/4885TSHR 1571/4885
US-20230126391-A1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO[4.3.1] DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS FKBP8, FKBP2, FKBP1A ACHE 3654/4885ALDH1A1 4332/4885TSHR 4120/4885

“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.