SCHEMBL5710152

SCHEMBL5710152

Oc1ccccc1C1CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.51
ADRA1A P35348 1/20 0.47
IDO1 P14902 2/20 0.44
PDPK1 O15530 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP11B2 P19099 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD1 P21728 1/20 0.41

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
SCHEMBL10501682 0.89 ADRA2A (0.50) PIN1ADRA1AIDO1TAS1R3TAS1R1
SCHEMBL15846513 0.87 PIN1 (0.47) PIN1ADRA1AIDO1PDPK1TAS1R3
SCHEMBL14283849 0.86 DRD1 (0.47) PIN1ADRA1ADRD1
SCHEMBL9316636 0.82 CETP (0.43) PIN1ADRA1AIDO1PDPK1TAS1R3
SCHEMBL23003774 0.81 PIN1 (0.50) PIN1TAS1R3TAS1R1TAS1R2DRD1
SCHEMBL4275619 0.78 PIN1 (0.43) PIN1ADRA1AIDO1PDPK1TAS1R3
SCHEMBL1871239 0.77 SIGMAR1 (0.47) ADRA1AIDO1PDPK1SIGMAR1CYP11B2
SCHEMBL28306252 0.77 ALOX15 (0.46) PIN1ADRA1ADRD1
SCHEMBL14283889 0.77 BACE1 (0.48) PIN1ADRA1ADRD1
SCHEMBL2984209 0.76 IDO1 (0.48) ADRA1AIDO1PDPK1SIGMAR1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576139-A EXCELLENT RESOLUTION, SENSITIVITY, HEAT RESISTANCE AND DEVELOPABILITY FUJI PHOTO FILM CO., LTD. (JP) 1996-11-19 US claimed
EP-0160508-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP claimed
CN-115449262-A Marking composition 桑福德有限合伙人公司 2022-12-09 CN disclosed
CN-105579438-A Compounds and methods for skin repair ALLERGAN INC 2016-05-11 CN disclosed
CN-105130758-A Method for preparing bisphenol A by adopting combined process of suspension crystallization and falling film crystallization NANTONG XINGCHEN SYNTHETIC MATERIAL CO LTD 2015-12-09 CN disclosed
CN-101855213-B Therapeutic compounds ALLERGAN INC 2014-09-10 CN disclosed
CN-101877966-A Farnesoid X receptor agonists SMITHKLINE BEECHAM CORP 2010-11-03 CN disclosed
CN-100516011-C Production of bisphenol A with reduced isomer formation BAYER MATERIALSCIENCE AG (DE) 2009-07-22 CN disclosed
CN-1918097-A Production of bisphenol A with reduced isomer formation BAYER MATERIALSCIENCE AG (DE) 2007-02-21 CN disclosed
EP-1713752-A1 PRODUCTION OF BISPHENOL A WITH A REDUCED ISOMER FORMATION Bayer MaterialScience AG (DE) 2006-10-25 EP disclosed
CN-1720236-A 4-substituted benzimidazoles and their use as gastric secretion inhibitors ALTANA PHARMA AG (DE) 2006-01-11 CN disclosed
WO-2005075396-A1 PRODUCTION OF BISPHENOL A WITH A REDUCED ISOMER FORMATION BAYER MATERIALSCIENCE AG (DE) 2005-08-18 WO disclosed
US-20050176918-A1 Production of bisphenol a with reduced isomer formation BAYER MATERIALSCIENCE AG (DE) 2005-08-11 US disclosed
US-5576139-A EXCELLENT RESOLUTION, SENSITIVITY, HEAT RESISTANCE AND DEVELOPABILITY FUJI PHOTO FILM CO., LTD. (JP) 1996-11-19 US disclosed
EP-0342758-A1 Preparation of bisphenols SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-11-23 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 (1 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-20050176918-A1 Production of bisphenol a with reduced isomer formation CYP4A11, CYP19A1, SHBG PIN1 893/4885ADRA1A 560/4885IDO1 3894/4885

“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.