SCHEMBL4949276

SCHEMBL4949276

CCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCC)s3)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PRKCI P41743 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL4947793 0.98 KCNH2 (0.41) KCNH2CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL4950539 0.98 KCNH2 (0.41) KCNH2CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL4949286 0.98 KCNH2 (0.41) KCNH2CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2768137 0.95 KCNH2 (0.39) KCNH2CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL4948080 0.95 KCNH2 (0.39) KCNH2CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL4950076 0.95 KCNH2 (0.39) KCNH2CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2767901 0.95 KCNH2 (0.39) KCNH2CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL5353884 0.95 KCNH2 (0.39) KCNH2CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2247644 0.95 KCNH2 (0.39) KCNH2CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL10015617 0.95 KCNH2 (0.39) KCNH2CYP2E1CYP3A4CYP2A6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188670-A1 1,4-Dithienylbenzene Derivative NAT. INST. OF ADVANCED INDUSTRIAL SCI. AND TECH. (JP) 2008-08-07 US disclosed
US-20080188670-A1 1,4-Dithienylbenzene Derivative NAT. INST. OF ADVANCED INDUSTRIAL SCI. AND TECH. (JP) 2008-08-07 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-20080188670-A1 1,4-Dithienylbenzene Derivative SLC22A4, SLC19A2, SLC22A1 KCNH2 1058/4885CYP2E1 661/4885CYP3A4 1051/4885

“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.