SCHEMBL4530697

SCHEMBL4530697

COC(=O)CCCCC(C)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 4/20 0.47
ALDH1A1 P00352 2/20 0.47
PABPC1 P11940 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
MAPT P10636 1/20 0.44
PPARG P37231 2/20 0.42
RECQL P46063 1/20 0.42
PPARA Q07869 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL16668510 1.00 TSHR (0.58) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL15994316 0.98 TSHR (0.56) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL17883542 0.98 TSHR (0.56) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL28301810 0.98 TSHR (0.56) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL15216418 0.98 TSHR (0.56) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL27274544 0.93 TSHR (0.61) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL4958389 0.93 TSHR (0.61) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL17883546 0.88 ALDH1A1 (0.54) TSHRL3MBTL1LMNAALDH1A1MAPT
SCHEMBL17883545 0.88 ALDH1A1 (0.54) TSHRL3MBTL1LMNAALDH1A1MAPT
SCHEMBL995832 0.84 TSHR (0.61) TSHRL3MBTL1LMNAALDH1A1PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
CN-109646424-B Preparation method and application of phenolic compound 四川好医生攀西药业有限责任公司 2022-06-14 CN disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 US disclosed
US-9315486-B2 Therapeutic cyclopentanols, compositions thereof, and methods for use thereof ALLERGAN, INC. (US) 2016-04-19 US disclosed
US-20150119454-A1 THERAPEUTIC CYCLOPENTANOLS, COMPOSITIONS THEREOF, AND METHODS FOR USE THEREOF ALLERGAN, INC. 2015-04-30 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
WO-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed
US-6815455-B1 ANTIFOAM AGENTS OF MACROPHAGES; PREVENTING ARTERIOSCLEROSIS FUJI PHOTO FILM CO., LTD. (JP) 2004-11-09 US disclosed
EP-1197487-B1 BENZIMIDAZOLE COMPOUNDS AND DRUGS CONTAINING THE SAME FUJI PHOTO FILM CO LTD (JP) 2004-01-14 EP disclosed
EP-1197487-A1 BENZIMIDAZOLE COMPOUNDS AND DRUGS CONTAINING THE SAME Fuji Photo Film Co., Ltd. (JP) 2002-04-17 EP disclosed
US-4590291-A Thrombin inhibitory new dihydroxybenzene ether derivatives BAYER AKTIENGESELLSCHAFT (DE) 1986-05-20 US disclosed
EP-0068250-A1 Dioxybenzene ether derivatives, pharmaceutical compositions containing them, process for the preparation thereof and their use BAYER AG (DE) 1983-01-05 EP disclosed
US-4259527-A OXIDATION OF SECONDARY ALCOHOLS TO KETONES WITH HYDROGEN PEROXIDE ALLIED CHEMICAL CORPORATION (US) 1981-03-31 US disclosed
US-4171313-A OF ALICYCLIC KETONES TO LACTONES, W-HYDROXY ACIDS AND ESTERS USING HYDROGEN PEROXIDE AS AN OXIDIZING AGENT ALLIED CHEMICAL CORPORATION (US) 1979-10-16 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 (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-20150119454-A1 THERAPEUTIC CYCLOPENTANOLS, COMPOSITIONS THEREOF, AND METHODS FOR USE THEREOF PTGIS, PDE3A, PTGIR TSHR 4207/4885L3MBTL1 4806/4885LMNA 990/4885
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 TSHR 798/4885L3MBTL1 4270/4885LMNA 4193/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 TSHR 798/4885L3MBTL1 4270/4885LMNA 4193/4885
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT TSHR 4264/4885L3MBTL1 2842/4885LMNA 2771/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 TSHR 798/4885L3MBTL1 4270/4885LMNA 4193/4885

“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.