SCHEMBL6842064

SCHEMBL6842064

CCCCC(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
EPHX2 P34913 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A4 P31645 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ECE1 P42892 1/20 0.41
ACP3 P15309 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
SCHEMBL5156697 0.95 KDM4E (0.47) ALOX5CYP2C9HPGDCYP2C19HTT
SCHEMBL3740930 0.94 KDM4E (0.49) ALOX5CYP2C9HPGDCYP2C19HTT
SCHEMBL1826965 0.94 KDM4E (0.49) ALOX5CYP2C9HPGDCYP2C19HTT
SCHEMBL2028355 0.94 KDM4E (0.49) ALOX5CYP2C9HPGDCYP2C19HTT
SCHEMBL5357939 0.94 KDM4E (0.49) ALOX5CYP2C9HPGDCYP2C19HTT
SCHEMBL8015861 0.94 KDM4E (0.49) ALOX5CYP2C9HPGDCYP2C19HTT
SCHEMBL451183 0.94 KDM4E (0.49) ALOX5CYP2C9HPGDCYP2C19HTT
SCHEMBL2024342 0.94 KDM4E (0.49) ALOX5CYP2C9HPGDCYP2C19HTT
SCHEMBL2536987 0.94 KDM4E (0.49) ALOX5CYP2C9HPGDCYP2C19HTT
SCHEMBL5638282 0.91 CYP2C9 (0.46) CYP2C9HPGDCYP2C19HTTEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323275-B2 HAVING A LOWERED ADHESION TO THE SKIN TOAGOSEI CO., LTD. (JP) 2001-11-27 US claimed
JP-3291201-A None JP disclosed
US-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-12 US disclosed
EP-1340780-A1 METAL CATALYST FOR RING-OPENING POLYMERIZATION OF HETEROCYCLIC COMPOUND SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-03 EP disclosed
US-6323275-B2 HAVING A LOWERED ADHESION TO THE SKIN TOAGOSEI CO., LTD. (JP) 2001-11-27 US disclosed
US-20010004655-A1 CYANOACRYLATE ADHESIVE COMPOSITION TOAGOSEI CO., LTD. (JP) 2001-06-21 US disclosed
EP-0975768-A2 PHENOLIC ACID ESTERASE AND USE THEREOF THE BABRAHAM INSTITUTE (GB) 2000-02-02 EP disclosed
WO-1998046768-A2 PHENOLIC ACID ESTERASE AND USE THEREOF THE BABRAHAM INSTITUTE (GB) 1998-10-22 WO disclosed
JP-H03291201-A HERBICIDE TEIJIN LTD 1991-12-20 JP disclosed
EP-0382990-A1 Strains of bacillus thuringiensis PLANT GENETIC SYSTEMS, N.V. (BE) 1990-08-22 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-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound MAX, PCNA, POLM ALOX5 928/4885CYP2C9 427/4885HPGD 367/4885

“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.