SCHEMBL3244852

SCHEMBL3244852

O=CCCCCCc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.44
NQO2 P16083 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MCL1 Q07820 2/20 0.43
CA2 P00918 1/20 0.42
ACP3 P15309 1/20 0.42
DAO P14920 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
SCHEMBL3225216 0.98 MTNR1A (0.45) MTNR1ANQO2TDP1GPR84SIGMAR1
SCHEMBL143128 0.93 MTNR1A (0.47) MTNR1ANQO2TDP1GPR84SIGMAR1
SCHEMBL7184372 0.91 HPRT1 (0.42) MTNR1ANQO2TDP1GPR84SIGMAR1
SCHEMBL7176833 0.89 HPRT1 (0.44) MTNR1ANQO2TDP1GPR84MCL1
SCHEMBL143458 0.85 MTNR1A (0.49) MTNR1ANQO2TDP1CYP1A2CYP2C9
SCHEMBL7189739 0.85 MTNR1A (0.38) MTNR1ANQO2GPR84
SCHEMBL29272679 0.84 MTNR1A (0.37) MTNR1ANQO2GPR84
SCHEMBL7182839 0.83 MTNR1A (0.39) MTNR1ANQO2GPR84CA2
SCHEMBL7176162 0.83 HPRT1 (0.45) MTNR1ANQO2TDP1GPR84MCL1
SCHEMBL9800436 0.83 CYP1A2 (0.58) MTNR1ANQO2TDP1GPR84SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966456-B1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2003-04-02 EP claimed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP claimed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP claimed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US claimed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO claimed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-0966456-B1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2003-04-02 EP disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP disclosed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP disclosed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US disclosed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 MTNR1A 886/4885NQO2 876/4885TDP1 4444/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 MTNR1A 886/4885NQO2 876/4885TDP1 4444/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 MTNR1A 898/4885NQO2 3001/4885TDP1 4798/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 MTNR1A 898/4885NQO2 3001/4885TDP1 4798/4885

“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.