SCHEMBL5360209

SCHEMBL5360209

COc1ccc(C2(C)CCc3cc(OC)ccc3C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
PRNP P04156 1/20 0.51
METAP1 P53582 2/20 0.43
MALT1 Q9UDY8 2/20 0.43
MIF P14174 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
MAPK14 Q16539 1/20 0.41
MPO P05164 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3652669 0.93 SMN1; SMN2 (0.55) SMN1; SMN2PRNPMETAP1MALT1MIF
SCHEMBL10597728 0.91 SMN1; SMN2 (0.50) SMN1; SMN2PRNPMALT1CA1CA2
SCHEMBL6518891 0.90 SMN1; SMN2 (0.53) SMN1; SMN2PRNPMETAP1MALT1MIF
SCHEMBL9862595 0.85 SMN1; SMN2 (0.49) SMN1; SMN2PRNPMETAP1MALT1CA1
SCHEMBL630002 0.82 SMN1; SMN2 (0.66) SMN1; SMN2PRNPMETAP1MALT1MIF
SCHEMBL30475131 0.79 SMN1; SMN2 (0.67) SMN1; SMN2PRNPMETAP1MALT1MIF
SCHEMBL8012040 0.78 SMN1; SMN2 (0.61) SMN1; SMN2PRNPMETAP1MALT1MIF
SCHEMBL18248731 0.78 SMN1; SMN2 (0.58) SMN1; SMN2PRNPMETAP1MALT1MIF
SCHEMBL9520467 0.78 SRD5A1 (0.42) SMN1; SMN2MALT1CA1CA2CA7
SCHEMBL27081326 0.77 SMN1; SMN2 (0.59) SMN1; SMN2PRNPMETAP1MALT1MIF

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196081-B2 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-03-27 US disclosed
US-7196081-B2 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-03-27 US disclosed
US-20050192449-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-01 US disclosed
US-6737417-B2 AN ANTIESTROGENIC AGENT CONTAININING AROMATIC OR HETEROAROMATIC COMPOUNDS CONTAINING HYDROXYCARBONYL OR METAL SALT- HALOGENOALKYL SIDE CHAIN; USEFUL FOR TREATING BREAST CANCER CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-18 US disclosed
EP-1361205-A1 Compounds with hydroxycarbonyl-halogenalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-12 EP disclosed
US-20030130347-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-10 US disclosed
US-20030114524-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chain CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-06-19 US disclosed
EP-1241158-A1 COMPOUND HAVING HYDROXYCARBONYL-HALOGENOALKYL SIDE CHAIN CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed
US-5021414-A Antiestrogen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-04 US disclosed
US-4910212-A Containing 1,2,4-triazole or imidazole ring IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-20 US disclosed
US-4904661-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-27 US disclosed
US-4833135-A Antioestrogenic phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-23 US disclosed
EP-0281283-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-07 EP disclosed
US-4732912-A ANTIESTROGENS, ANTITUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-22 US disclosed
EP-0124369-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-06-24 EP disclosed
EP-0166509-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-02 EP disclosed
EP-0124369-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-07 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 (3 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-20050192449-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CYP19A1, HSD17B11, SHBG SMN1; SMN2 4603/4885PRNP 4799/4885METAP1 3977/4885
US-20030114524-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chain HSD17B11, CYP19A1, SHBG SMN1; SMN2 4678/4885PRNP 4841/4885METAP1 3879/4885
US-20030130347-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains HSD17B11, CYP19A1, SHBG SMN1; SMN2 4666/4885PRNP 4827/4885METAP1 3862/4885

“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.