SCHEMBL2986567

SCHEMBL2986567

CC(C(=O)O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.67
PTGS1 P23219 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.63
KMT2A Q03164 2/20 0.63
MAOB P27338 2/20 0.58
NR4A2 P43354 1/20 0.57
BCHE P06276 1/20 0.54
MEN1 O00255 1/20 0.54
PTGES O14684 1/20 0.53
SMPD1 P17405 1/20 0.52
MAPT P10636 2/20 0.51
CXCR1 P25024 2/20 0.51
CXCR2 P25025 2/20 0.51
PTGS2 P35354 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
RECQL P46063 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL27833465 0.91 ALOX5 (0.67) ALOX5PTGS1SMN1; SMN2KMT2AMAOB
SCHEMBL14032970 0.88 KMT2A (0.59) ALOX5PTGS1SMN1; SMN2KMT2AMAOB
SCHEMBL2853880 0.87 ALOX5 (0.63) ALOX5PTGS1SMN1; SMN2KMT2AMAOB
SCHEMBL9586230 0.86 AKR1C3 (0.70) ALOX5PTGS1MAOBPTGS2SLC22A6
SCHEMBL289911 0.84 KMT2A (0.51) ALOX5PTGS1SMN1; SMN2KMT2AMAOB
SCHEMBL5494784 0.84 KMT2A (0.64) ALOX5SMN1; SMN2KMT2AMAOBNR4A2
SCHEMBL28290141 0.83 KMT2A (0.57) ALOX5SMN1; SMN2KMT2AMAOBNR4A2
SCHEMBL13802503 0.83 RXRA (0.57) ALOX5PTGS1MAPTCXCR1CXCR2
SCHEMBL2885897 0.83 ALOX5 (0.62) ALOX5PTGS1MAOBNR4A2PTGS2
SCHEMBL23923495 0.83 KMT2A (0.61) ALOX5SMN1; SMN2KMT2AMAOBNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-51133246-A None JP disclosed
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 US disclosed
EP-1244609-B1 PREPARING METHOD OF 2-PHENYLALKANOIC ACID DERIVATIVES KOREA RES INST CHEM TECH (KR) 2003-10-29 EP disclosed
EP-1244609-A1 PREPARING METHOD OF 2-PHENYLALKANOIC ACID DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-10-02 EP disclosed
WO-2001049648-A1 PREPARING METHOD OF 2-PHENYLALKANOIC ACID DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-07-12 WO disclosed
JP-S51133246-A PROCESS FOR PREPARING 3- BENZYLOXYPHENYLACETIC ACIDS GRELAN PHARMACEUT CO LTD 1976-11-18 JP disclosed
US-3985779-A ANTIINFLAMMATORY AND ANALGESIC ACTIVITIES EISAI CO., LTD. (JA) 1976-10-12 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 (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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 ALOX5 4600/4885PTGS1 704/4885SMN1; SMN2 2880/4885

“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.