SCHEMBL6484450

SCHEMBL6484450

CC1(C)CCC(CCO)CC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.35
UGT2B7 P16662 1/20 0.33
BRD4 O60885 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
SCHEMBL26626023 0.86 ARG1 (0.33) UGT2B7
SCHEMBL25554787 0.83 ESR2 (0.35) ESR2UGT2B7BRD4
SCHEMBL2703732 0.79 APLNR (0.36) ESR2
SCHEMBL19012099 0.77 CYP1A2 (0.37)
SCHEMBL21066 0.75 APLNR (0.39) ESR2
SCHEMBL3835776 0.75 CYP1A2 (0.46)
SCHEMBL6654496 0.75
SCHEMBL6485088 0.75
SCHEMBL7963544 0.75 ESR2 (0.32) ESR2
SCHEMBL24197652 0.74 ESR2 (0.50) ESR2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3059239-B1 SULFUR-CONTAINING BICYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2018-06-27 EP disclosed
CN-105636965-B The ring type compound of sulfur-bearing two 安斯泰来制药株式会社 2017-11-24 CN disclosed
US-9642852-B2 Sulfur-containing bicyclic compound ASTELLAS PHARMA INC. (JP) 2017-05-09 US disclosed
EP-3059239-A1 SULFUR-CONTAINING BICYCLIC COMPOUND Astellas Pharma Inc. (JP) 2016-08-24 EP disclosed
CN-105636965-A Sulfur-containing bicyclic compound ASTELLAS PHARMA INC 2016-06-01 CN disclosed
US-20150231138-A1 SULFUR-CONTAINING BICYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2015-08-20 US disclosed
US-9051339-B2 Sulfur-containing bicyclic compound ASTELLAS PHARMA INC. (JP) 2015-06-09 US disclosed
US-20150111876-A1 SULFUR-CONTAINING BICYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2015-04-23 US disclosed
US-6958402-B2 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER, INC. (US) 2005-10-25 US disclosed
US-20040254164-A1 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER INC. (US) 2004-12-16 US disclosed
EP-1467731-A1 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS Pfizer Limited (GB) 2004-10-20 EP disclosed
EP-1077940-B1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER (US) 2004-07-14 EP disclosed
US-6713496-B2 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER INC 2004-03-30 US disclosed
US-20030199522-A1 3-(Imidazolyl)-2-alkoxypropanoic acids PFIZER INC. 2003-10-23 US disclosed
US-6610711-B2 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-08-26 US disclosed
WO-2003061652-A1 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS PFIZER LIMITED (GB) 2003-07-31 WO disclosed
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-04-24 US disclosed
EP-1077940-A1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 2001-02-28 EP disclosed
WO-1999059971-A1 NOVEL 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 1999-11-25 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 (5 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-20030199522-A1 3-(Imidazolyl)-2-alkoxypropanoic acids F2, FGB, F7 ESR2 999/4885UGT2B7 529/4885BRD4 3347/4885
US-20150111876-A1 SULFUR-CONTAINING BICYCLIC COMPOUND GABRB1, GABRA1, GABBR1 ESR2 2549/4885UGT2B7 1796/4885BRD4 418/4885
US-20040254164-A1 3-(imidazolyl)-2-alkoxypropanoic acids F2, FGB, F7 ESR2 1022/4885UGT2B7 546/4885BRD4 3293/4885
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses HRH2, HRH4, HRH1 ESR2 901/4885UGT2B7 376/4885BRD4 517/4885
US-20150231138-A1 SULFUR-CONTAINING BICYCLIC COMPOUND GABBR1, GABRB1, GRIN2C ESR2 2768/4885UGT2B7 1887/4885BRD4 354/4885

“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.