SCHEMBL3676048

SCHEMBL3676048

O=C1C=CC(O)(c2ccc3ccccc3c2)C=C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.39
SLC6A3 Q01959 8/20 0.39
SLC6A2 P23975 5/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
GSTP1 P09211 1/20 0.36

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
SCHEMBL3674004 0.77 POLB (0.44) KMT2A
SCHEMBL3673681 0.76 MGAM (0.44) KMT2ACYP1A2
SCHEMBL15146014 0.69 CA1 (0.34) CES2CES1KMT2A
SCHEMBL3670209 0.68 DAO (0.45)
SCHEMBL3728929 0.68 RAB9A (0.50) KMT2ACYP1A2
SCHEMBL3673477 0.68 SIGMAR1 (0.44) SLC6A3KMT2A
SCHEMBL3677596 0.68 KMT2A (0.41) SLC6A4SLC6A3SLC6A2CES1KMT2A
SCHEMBL14156408 0.67 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2CYP1A2
SCHEMBL28490104 0.67 KDM4E (0.53) SLC6A4SLC6A3SLC6A2KMT2A
SCHEMBL28404806 0.67 KMT2A (0.44) CES2CES1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404659-B1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2010-02-10 EP disclosed
EP-1404659-B1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2010-02-10 EP disclosed
US-20060287396-A1 4-aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-12-21 US disclosed
US-7144893-B2 4-aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-12-05 US disclosed
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-11-04 US disclosed
EP-1404659-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2004-04-07 EP disclosed
WO-2003004479-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-16 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 (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-20060287396-A1 4-aryl quinols and analogs thereof as therapeutic agents TXNRD3, TXNRD1, TXN SLC6A4 2333/4885SLC6A3 1912/4885SLC6A2 2182/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 SLC6A4 1815/4885SLC6A3 1789/4885SLC6A2 1559/4885

“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.