SCHEMBL382898

SCHEMBL382898

COC(=O)CC1CCC(c2ccc(O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 12/20 0.56
ESR1 P03372 6/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2D6 P10635 1/20 0.50
DGAT1 O75907 1/20 0.47
HDAC2 Q92769 1/20 0.44
MIF P14174 4/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL382897 1.00 ESR2 (0.56) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL17327330 1.00 ESR2 (0.56) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL10197496 0.88 DGAT1 (0.47) ESR2ESR1CYP3A4CYP2C9DGAT1
SCHEMBL16969312 0.87 ESR2 (0.51) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL4673308 0.86 DGAT1 (0.46) ESR2ESR1CYP3A4CYP2C9DGAT1
SCHEMBL18763690 0.86 DGAT1 (0.51) DGAT1MIFALDH1A1LMNAMAPT
SCHEMBL28817040 0.86 IDO1 (0.56) DGAT1MAPT
SCHEMBL17327303 0.86 DGAT1 (0.51) DGAT1MIFALDH1A1LMNAMAPT
SCHEMBL1399745 0.86 DGAT1 (0.51) ESR2ESR1CYP3A4CYP2C9DGAT1
SCHEMBL28102452 0.86 DGAT1 (0.46) ESR2ESR1CYP3A4CYP2C9DGAT1

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-10987322-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-20170112785-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2017-04-27 US disclosed
US-9321728-B2 Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-04-26 US disclosed
US-9321728-B2 Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-04-26 US disclosed
US-9321728-B2 Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-04-26 US disclosed
US-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-11-19 US disclosed
US-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-11-19 US disclosed
US-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-11-19 US disclosed
EP-2842938-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2015-03-04 EP disclosed
EP-2842938-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2015-03-04 EP disclosed
CN-101466690-A (trans-4- [ ({5- [ (3)) ASTRAZENECA AB (SE) 2009-06-24 CN disclosed
CN-101460492-A Benzimidazoles and their use for the treatment of diabetes ASTRAZENECA AB (SE) 2009-06-17 CN disclosed
EP-2035417-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES AstraZeneca AB (SE) 2009-03-18 EP disclosed
EP-2032546-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY Astra Zeneca AB (SE) 2009-03-11 EP disclosed
WO-2008129319-A1 SALTS OF OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
WO-2007141517-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007141538-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
US-20070244096-A1 Fused Bicyclic Nitrogen-Containing Heterocycles JAPAN TOBACCO INC. (JP) 2007-10-18 US disclosed
US-20070244096-A1 Fused Bicyclic Nitrogen-Containing Heterocycles JAPAN TOBACCO INC. (JP) 2007-10-18 US disclosed
US-7244727-B2 Fused bicyclic nitrogen-containing heterocycles JAPAN TOBACCO INC. (JP) 2007-07-17 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 (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-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT DGAT1, GOT1, ACAT2 ESR2 4409/4885ESR1 4609/4885CYP3A4 1136/4885
US-20170112785-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT ESR2 1493/4885ESR1 3892/4885CYP3A4 1482/4885
US-10987322-B2 Immunoregulatory agents IDO1, IDO2, INMT ESR2 1493/4885ESR1 3892/4885CYP3A4 1482/4885
US-20070244096-A1 Fused Bicyclic Nitrogen-Containing Heterocycles PC, HCCS, MYC ESR2 604/4885ESR1 2230/4885CYP3A4 2783/4885

“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.