SCHEMBL127185

SCHEMBL127185

c1ccc(C[C](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
AKR1B1 P15121 1/20 0.52
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
CALM1 P0DP23 1/20 0.43
CTSL P07711 1/20 0.42
SRD5A2 P31213 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MDM2 Q00987 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
CTBP2 P56545 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
SCHEMBL6989270 0.87 ALDH1A1 (0.51) CES1CES2AKR1B1L3MBTL1ALDH1A1
SCHEMBL6987142 0.87 CES2 (0.52) CES1CES2MEN1KMT2AL3MBTL1
SCHEMBL29271945 0.84 L3MBTL1 (0.50) CES1CES2TSHRMEN1KMT2A
SCHEMBL26638162 0.84 FNTA (0.55) CES2MEN1KMT2AMAPTFNTA
SCHEMBL335504 0.79 LTA4H (0.57) CES1CES2L3MBTL1MAPTTDP1
SCHEMBL354299 0.79 NPC1 (0.50) TSHRMEN1KMT2AL3MBTL1MAPT
SCHEMBL9595063 0.79 PLAU (0.58) CES1CES2MEN1KMT2AL3MBTL1
SCHEMBL10489992 0.78 CES1 (0.52) CES1CES2AKR1B1TSHRMEN1
SCHEMBL8672567 0.78 CES1 (0.52) CES1CES2AKR1B1TSHRMEN1
SCHEMBL2322710 0.78 CES1 (0.52) CES1CES2AKR1B1TSHRMEN1

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 446 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300183-A Spiropyran derivative, optical/electric double-response membrane material and preparation method thereof 中国石油化工股份有限公司 2021-02-02 CN claimed
JP-4838934-B2 2011-12-14 JP claimed
EP-1185239-B1 PRO-FRAGRANCES PROCTER & GAMBLE (US) 2010-03-10 EP claimed
EP-1569935-B1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2008-08-20 EP claimed
US-7304086-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2007-12-04 US claimed
EP-1042291-B1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2005-07-13 EP claimed
US-6861402-B1 Pro-fragrances THE PROCTER & GAMBLE COMPANY (US) 2005-03-01 US claimed
EP-1171566-B1 PRO-FRAGRANCES PROCTER & GAMBLE (US) 2004-12-22 EP claimed
US-20040067870-A1 Fragrance raw materials aldehydes and pro-fragrances having a tertiary alpha carbon atom THE PROCTER & GAMBLE COMPANY 2004-04-08 US claimed
US-6551987-B1 For delivering fragrance raw material ketones, preferably alpha , beta -unsaturated ketones, inter alia, damascones, ionones to human skins THE PROCTER & GAMBLE COMPANY 2003-04-22 US claimed
EP-0882059-B1 SOLID PHASE SYNTHESIS OF OLIGONUCLEOTIDE N3-'P5'- PHOSPHORAMIDATES LYNX THERAPEUTICS INC (US) 2002-02-06 EP claimed
EP-1171566-A1 PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 2002-01-16 EP claimed
WO-2000063339-A1 PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 2000-10-26 WO claimed
EP-1042291-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP claimed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
CN-1056878-A 2-substituted alkyl-3-carboxycarbapenems as antibiotics and process for their preparation AMERICAN CYANAMID CO (US) 1991-12-11 CN claimed
US-4643849-A ANTIULCER, ANTISECRETORY AGENTS TOYAMA CHEMICAL CO., LTD. (JP) 1987-02-17 US claimed
EP-0053072-A1 Oxacephalosporins and their preparation RHONE-POULENC SANTE (FR) 1982-06-02 EP claimed
US-20240239745-A1 METHOD FOR SYNTHESIZING BILIRUBIN Bilix Co., Ltd. (KR) 2024-07-18 US disclosed
US-3952105-A TRIORGANO-STANNOXY SUBSTITUTED 6B METAL ESTER SCM CORPORATION (US) 1976-04-20 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 (2 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-20040067870-A1 Fragrance raw materials aldehydes and pro-fragrances having a tertiary alpha carbon atom CUTA, TRPA1, HRH1 CES1 798/4885CES2 239/4885AKR1B1 1085/4885
US-20240239745-A1 METHOD FOR SYNTHESIZING BILIRUBIN CYP7A1, UGT1A3, UGT1A1 CES1 246/4885CES2 753/4885AKR1B1 428/4885

“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.