SCHEMBL2979489

SCHEMBL2979489

COC(=O)CCCc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 1/20 0.46
VCAM1 P19320 1/20 0.46
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDK1 Q15118 1/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.40
MAPT P10636 4/20 0.40
RAB9A P51151 2/20 0.40
PTGER4 P35408 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
CRHBP P24387 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
SCHEMBL5957173 0.88 PDGFRB (0.55) ALDH1A1VCAM1PDGFRBFGFR1PDGFRA
SCHEMBL2061507 0.84 PDK1 (0.46) ALDH1A1VCAM1HPGDNPSR1PDK1
SCHEMBL2974692 0.84 HCAR3 (0.53) ALDH1A1TDP1HPGDLMNAKMT2A
SCHEMBL31260597 0.83 PDK1 (0.58) ALDH1A1VCAM1HPGDNPSR1PDK1
SCHEMBL24211 0.83 PDK1 (0.58) ALDH1A1VCAM1HPGDNPSR1PDK1
SCHEMBL2502586 0.82 VCAM1 (0.56) ALDH1A1VCAM1PDGFRBFGFR1PDGFRA
SCHEMBL6515359 0.82 PDK1 (0.47) ALDH1A1VCAM1HPGDNPSR1PDK1
SCHEMBL7443550 0.81 VCAM1 (0.46) ALDH1A1VCAM1PDGFRBFGFR1PDGFRA
SCHEMBL6953347 0.81 PDK1 (0.46) ALDH1A1VCAM1HPGDNPSR1PDK1
SCHEMBL1495869 0.81 ALDH1A1 (0.41) ALDH1A1HPGDLMNAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786161-B2 Carboxylic acid derivatives and pharmaceutical agent comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-08-31 US disclosed
US-7786161-B2 Carboxylic acid derivatives and pharmaceutical agent comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-08-31 US disclosed
US-7786161-B2 Carboxylic acid derivatives and pharmaceutical agent comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-08-31 US disclosed
US-20090318703-A1 CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2009-12-24 US disclosed
US-20090318703-A1 CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2009-12-24 US disclosed
US-20090318703-A1 CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2009-12-24 US disclosed
US-7491748-B2 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-7491748-B2 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-7491748-B2 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-20060258728-A1 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1431267-A1 CARBOXYLIC ACID DERIVATIVE COMPOUNDS AND DRUGS COMPRISING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-23 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 (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-20090318703-A1 CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT PTGER2, PTGER4, PTGER1 ALDH1A1 849/4885TDP1 4271/4885VCAM1 2079/4885
US-20060258728-A1 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient PTGER2, PTGER4, PTGER1 ALDH1A1 709/4885TDP1 4146/4885VCAM1 1950/4885

“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.