SCHEMBL498807

SCHEMBL498807

O=C(O)CCCCCCCCCc1cc2cccc3ccc4cccc1c4c32

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
F13A1 P00488 3/20 0.49
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LTB4R Q15722 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
OXER1 Q8TDS5 1/20 0.40
MC4R P32245 1/20 0.40
MC5R P33032 1/20 0.40
MC3R P41968 1/20 0.40

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
SCHEMBL9334268 0.94 KMT2A (0.80) KMT2AMEN1F13A1CYP1A2CYP2D6
SCHEMBL31672143 0.88 KMT2A (0.91) KMT2AMEN1F13A1CYP1A2CYP2D6
SCHEMBL9297012 0.88 KMT2A (0.91) KMT2AMEN1F13A1CYP1A2CYP2D6
SCHEMBL498806 0.88 KMT2A (0.91) KMT2AMEN1F13A1CYP1A2CYP2D6
SCHEMBL31311344 0.88 KMT2A (0.91) KMT2AMEN1F13A1CYP1A2CYP2D6
SCHEMBL8644297 0.88 KMT2A (0.91) KMT2AMEN1F13A1CYP1A2CYP2D6
SCHEMBL591281 0.88 KMT2A (0.91) KMT2AMEN1F13A1CYP1A2CYP2D6
SCHEMBL591648 0.88 KMT2A (0.91) KMT2AMEN1F13A1CYP1A2CYP2D6
SCHEMBL4634469 0.88 KMT2A (0.91) KMT2AMEN1F13A1CYP1A2CYP2D6
SCHEMBL18696077 0.87 KMT2A (0.59) KMT2AMEN1F13A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045421-B2 Reagent and method for detection of carboxylic acids by mass spectrometry UNIVERSITY OF WASHINGTON (US) 2015-06-02 US disclosed
US-20150079607-A1 METHODS FOR MONITORING NEUROINFLAMMATORY DESTRUCTION OF NEURONS AND FOR TREATING DISEASES HAVING AN INFLAMMATORY COMPONENT RELATED TO PHOSPHOLIPASE A2 Philadelphia Health And Education Corporation, d/b/a Drexel University College of Medicine (US) 2015-03-19 US disclosed
US-8785401-B2 Methods for treating diseases having an inflammatory component related to phospholipase A2 PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2014-07-22 US disclosed
US-8106019-B2 Heptapeptide having the sequence of CHEASQC; Multiple Sclerosis, Alzheimer's disease, Parkinson's disease, and amyotrophic lateral sclerosis PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2012-01-31 US disclosed
US-20110294153-A1 REAGENT AND METHOD FOR DETECTION OF CARBOXYLIC ACIDS BY MASS SPECTROMETRY WASHINGTON, UNIVERSITY OF (US) 2011-12-01 US disclosed
US-20090181879-A1 Methods for Monitoring Neuroinflammatory Destruction of Neurons and for Treating Diseases Having an Inflammatory component related to phospholipase A2 PHILADELPHIA HEALTH & EDUCATION CORPORATION D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICINE (US) 2009-07-16 US disclosed
EP-1915613-A4 METHODS FOR MONITORING NEUROINFLAMMATORY DESTRUCTION OF NEURONS AND FOR TREATING DISEASES HAVING AN INFLAMMATORY COMPONENT RELATED TO PHOSPHOLIPASE A2 PHILADELPHIA HEALTH & EDUCATIO (US) 2008-11-05 EP disclosed
US-20080249027-A1 CHEC-7 a novel sPLA2 inhibitor and methods of use for treating neurological and inflammatory disorders DREXEL UNIVERSITY 2008-10-09 US disclosed
EP-1915613-A2 METHODS FOR MONITORING NEUROINFLAMMATORY DESTRUCTION OF NEURONS AND FOR TREATING DISEASES HAVING AN INFLAMMATORY COMPONENT RELATED TO PHOSPHOLIPASE A2 Philadelphia Health and Education Corporation (US) 2008-04-30 EP disclosed
US-7364787-B2 Sphingolipid ceramide N-deacylase, methods for producing sphingolipids and sphingolipid derivatives, and sphingolipid ceramide N-deacylase gene TAKARA BIO, INC. (JP) 2008-04-29 US disclosed
US-6821761-B2 CEREBROSIDES/GANGLIOSIDES; DERIVED FROM PSEUDOMONAS OR SHEWANELLA TAKARA BIO, INC. (JP) 2004-11-23 US disclosed
US-20030166250-A1 Sphingolpid ceramide N-deacylase, methods for producing sphingolipids and sphingolipid derivatives, and sphingolipid ceramide N-deacylase gene TAKARA SHUZO CO., LTD. 2003-09-04 US disclosed
EP-1135141-A4 PHOSPHOLIPASE INHIBITORS FOR THE TREATMENT OF CANCER ANALYTICA LTD (AU) 2003-03-05 EP disclosed
US-6428999-B1 USEFUL IN MEDICINE, CARBOHYDRATE ENGINEERING, CELL ENGINEERING TAKARA SHUZO CO., LTD. (JP) 2002-08-06 US disclosed
US-20020086410-A1 SPHINGOLIPID CERAMIDE N-DEACYLASE, METHODS FOR PRODUCING SPHINGOLIPIDS AND SPHINGOLIPID DERIVATIVES, AND SPHINGOLIPID CERAMIDE N-DEACYLASE GENE TAKARA SHUZO CO., LTD. (JP) 2002-07-04 US disclosed
EP-1135141-A1 PHOSPHOLIPASE INHIBITORS FOR THE TREATMENT OF CANCER Analytica Ltd. (AU) 2001-09-26 EP disclosed
WO-2000028997-A1 PHOSPHOLIPASE INHIBITORS FOR THE TREATMENT OF CANCER ANALYTICA LTD (AU) 2000-05-25 WO disclosed
WO-1999029726-A1 PHOSPHOLIPASE INHIBITOR HSC (PLA) PTY. LTD. (AU) 1999-06-17 WO disclosed
EP-0707063-B1 Glycolipid ceramide deacylase TAKARA SHUZO CO (JP) 1998-06-17 EP disclosed
EP-0707063-A1 Glycolipid ceramide deacylase TAKARA SHUZO CO. LTD. (JP) 1996-04-17 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-20110294153-A1 REAGENT AND METHOD FOR DETECTION OF CARBOXYLIC ACIDS BY MASS SPECTROMETRY NAAA, CA1, CA12 KMT2A 1332/4885MEN1 3450/4885F13A1 134/4885

“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.