SCHEMBL3211235

SCHEMBL3211235

CCC1(CC)CC(=O)OC1=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL27944809 0.98 KDM4E (0.32) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL5906887 0.92 TSHR (0.44) TSHR
SCHEMBL12996650 0.87
SCHEMBL2418239 0.84
SCHEMBL9015232 0.82
SCHEMBL28067531 0.81 SIRT2 (0.38) TSHR
SCHEMBL28198384 0.81 SIRT2 (0.38) TSHR
SCHEMBL9015189 0.79 CYP1A2 (0.33)
SCHEMBL12444839 0.78 MAPK1 (0.31)
SCHEMBL677243 0.77 TSHR (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868700-B2 Carbamoyl hydrazine derivatives as formyl peptide modulators ALLERGAN, INC. (US) 2018-01-16 US disclosed
US-9695149-B2 1,2,6-substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-04 US disclosed
US-20170183298-A1 CARBAMOYL HYDRAZINE DERIVATIVES AS FORMYL PEPTIDE MODULATORS ALLERGAN, INC. 2017-06-29 US disclosed
US-9682971-B2 1,2,5-Substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
US-9682972-B2 1,2,5-substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
US-9663457-B2 Carbamoyl hydrazine derivatives as formyl peptide modulators ALLERGAN, INC. (US) 2017-05-30 US disclosed
US-20160108028-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-04-21 US disclosed
US-9265770-B2 1,2,5-substituted benzimidazoles as FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2016-02-23 US disclosed
US-20160046600-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS CHAI WENYING (US) 2016-02-18 US disclosed
US-20160039790-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-11 US disclosed
WO-2005075456-A1 2-(PIPERIDIN-4-YL) -4, 5-DIHYDRO-2H-PYRIDAZIN-3-ONE DERIVATIVES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-08-18 WO disclosed
WO-2005075437-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-08-18 WO disclosed
EP-0608132-B1 Coating varnish composition and antifouling coating composition HITACHI CHEMICAL CO LTD (JP) 1998-05-20 EP disclosed
WO-1996027592-A1 POLYMORPHIC B FORM OF (E)-4-[[3-[2-(4-CYCLOBUTYL-2-THIAZOLYL)ETHENYL]PHENYL]AMINO]-2,2-DIETHYL-4-OXOBUTANOIC ACID F. HOFFMANN-LA ROCHE AG (CH) 1996-09-12 WO disclosed
US-5508408-A LEUKOTRIENE ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1996-04-16 US disclosed
US-5439511-A Composition containing polymer obtained by polymerizing unsaturated acid anhydride and another unsaturated compound, specified additive HITACHI CHEMICAL COMPANY, LTD. (JP) 1995-08-08 US disclosed
EP-0608132-A1 Coating varnish composition and antifouling coating composition HITACHI CHEMICAL CO., LTD. (JP) 1994-07-27 EP disclosed
EP-0355353-B1 Cycloalkylthiazole derivatives HOFFMANN LA ROCHE (CH) 1994-03-16 EP disclosed
US-5001140-A Cycloalkylthiazoles HOFFMANN-LA ROCHE INC. (US) 1991-03-19 US disclosed
EP-0355353-A2 Cycloalkylthiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-02-28 EP 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-20160039790-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, F12 KDM4E 1224/4885LMNA 4209/4885CYP2C19 48/4885
US-20170183298-A1 CARBAMOYL HYDRAZINE DERIVATIVES AS FORMYL PEPTIDE MODULATORS FPR1, FPR2, FPR3 KDM4E 2875/4885LMNA 4411/4885CYP2C19 1847/4885
US-20160046600-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, CYP3A5 KDM4E 921/4885LMNA 4424/4885CYP2C19 29/4885
US-20160108028-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, CYP3A5 KDM4E 921/4885LMNA 4424/4885CYP2C19 29/4885

“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.