SCHEMBL4861260

SCHEMBL4861260

CC(=O)CP(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CES1 P23141 4/20 0.38
CES2 O00748 3/20 0.38
HSD17B10 Q99714 2/20 0.37
NAPRT Q6XQN6 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 3/20 0.36
CYP3A4 P08684 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL6903087 0.81 CYP3A4 (0.39) ALDH1A1CES1CES2NAPRTMAPT
SCHEMBL28794384 0.81 CYP3A4 (0.39) ALDH1A1CES1CES2LMNACYP3A4
SCHEMBL1009627 0.81 AKR1B1 (0.42) ALDH1A1CES1CES2NAPRTLMNA
SCHEMBL27550664 0.79 AKR1B1 (0.41) ALDH1A1CES1CES2NAPRTLMNA
SCHEMBL28768934 0.79 AKR1B1 (0.41) ALDH1A1CES1CES2NAPRTLMNA
SCHEMBL9518462 0.79 AKR1B1 (0.41) ALDH1A1CES1CES2NAPRTLMNA
Ammonia Solution, Strong SCHEMBL31339446 0.79 AKR1B1 (0.41) ALDH1A1CES1CES2NAPRTLMNA
SCHEMBL10728992 0.78 ALDH1A1 (0.50) ALDH1A1CES1CES2HSD17B10NAPRT
SCHEMBL28674793 0.78 HSD11B1 (0.44) ALDH1A1CES1CES2LMNAMAPT
SCHEMBL27438691 0.77 CYP3A4 (0.36) ALDH1A1HSD17B10LMNAMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320835-B2 Phosphorescent material E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-22 US claimed
US-20050196637-A1 Phosphorescent material LG CHEM, LTD. (KR) 2005-09-08 US claimed
JP-2005518081-A 2005-06-16 JP claimed
EP-1472909-A1 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WITH PHOSPHINOALKOXIDES AND PHENYLPYRIDINES OR PHENYLPYRIMIDINES AND DEVICES MADE WITH SUCH COMPOUNDS E.I. du Pont de Nemours and Company (US) 2004-11-03 EP claimed
US-20030173896-A1 Electroluminescent iridium compounds with phosphinoalkoxides and phenylpyridines or phenylpyrimidines and devices made with such compounds LG CHEM, LTD. (KR) 2003-09-18 US claimed
WO-2003069961-A1 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WITH PHOSPHINOALKOXIDES AND PHENYLPYRIDINES OR PHENYLPYRIMIDINES AND DEVICES MADE WITH SUCH COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-08-21 WO claimed
WO-2024129836-A1 BISCATIONIC QUATERNARY PHOSPHONIUM COMPOUNDS AS SOFT ANTIMICROBIAL AGENTS VILLANOVA UNIVERSITY (US) 2024-06-20 WO disclosed
CN-113474348-A Substituted oxopyridine derivatives 拜耳公司 2021-10-01 CN disclosed
US-8871916-B2 Diaryl phosphine compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-10-28 US disclosed
US-20130203974-A1 Preparation of Diazo and Diazonium Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-08-08 US disclosed
US-8350014-B2 Preparation of diazo and diazonium compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 US disclosed
US-20100125132-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-05-20 US disclosed
US-7320835-B2 Phosphorescent material E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-22 US disclosed
CN-1059665-C Process for the preparation of 5-formylvalerate DSM NV (NL) 2000-12-20 CN disclosed
EP-0975574-A1 PROCESS TO PREPARE A PENTENOIC ACID DERIVATIVE DSM N.V. (NL) 2000-02-02 EP disclosed
WO-1998038151-A1 PROCESS TO PREPARE A PENTENOIC ACID DERIVATIVE DSM N.V. (NL) 1998-09-03 WO disclosed
CN-1138319-A Process for the preparation of an aldehyde DSM NV (NL) 1996-12-18 CN disclosed
CN-1109866-A Process for the preparation of 5-formylvalerate DSM NV (US) 1995-10-11 CN disclosed
CN-1021815-C Process for the preparation of diesters of adipic acid SHELL INT RESEARCH (NL) 1993-08-18 CN disclosed
CN-88101605-A Process for preparing adipic diester 1988-11-23 CN 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-20100125132-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS TREH, TALDO1, LIPE ALDH1A1 2593/4885CES1 1341/4885CES2 711/4885
US-20130203974-A1 Preparation of Diazo and Diazonium Compounds TREH, TALDO1, LIPE ALDH1A1 2593/4885CES1 1341/4885CES2 711/4885

“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.