SCHEMBL3677596

SCHEMBL3677596

O=C1C=CC(O)(c2cccc3ccccc23)C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC6A3 Q01959 5/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 3/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 2/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CBX7 O95931 1/20 0.35
CDY1; CDY1B Q9Y6F8 1/20 0.35
BRD4 O60885 1/20 0.35
CES1 P23141 1/20 0.35
PAX8 Q06710 1/20 0.34

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 0.69 POLB (0.44) KMT2AMEN1MAPTMAPK1RAB9A
SCHEMBL3670209 0.68 DAO (0.45) MAPTNPSR1KDM4EMAPK1RAB9A
SCHEMBL3676048 0.68 SLC6A4 (0.39) KMT2ASLC6A3SLC6A2SLC6A4CYP1A2
SCHEMBL28485903 0.67 SLC6A3 (0.49) KMT2AMEN1MAPTSLC6A3SLC6A2
1-Naphthol SCHEMBL10522861 0.67 CYP1A2 (0.74) KMT2AMAPTKDM4ECYP1A2NR4A1
Phenanthrene SCHEMBL258411 0.67 ALDH1A1 (0.67) KMT2AMEN1MAPK1CYP1A2CES1
SCHEMBL14063313 0.67 SLC6A3 (0.38) KMT2AMEN1MAPTNPSR1SLC6A3
SCHEMBL22876001 0.66 SLC6A3 (0.45) KMT2AMEN1MAPTNPSR1SLC6A3
SCHEMBL14939561 0.66 CYP2D6 (0.54) KMT2AMEN1MAPTNPSR1SLC6A3
Phenanthrene SCHEMBL8190498 0.65 ALDH1A1 (0.63) KMT2AMEN1MAPK1CYP1A2CES1

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 KMT2A 2627/4885MEN1 4275/4885MAPT 4098/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 KMT2A 2168/4885MEN1 4284/4885MAPT 3833/4885

“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.