SCHEMBL4510171

SCHEMBL4510171

Nc1ccc(Cl)c(CCO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
TSHR P16473 2/20 0.48
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ALDH1A1 P00352 2/20 0.38
THRB P10828 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
PNMT P11086 1/20 0.36
PRKCI P41743 1/20 0.36
ACHE P22303 2/20 0.35
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 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
SCHEMBL1625228 0.83 CA1 (0.48) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL29362177 0.83 CA1 (0.48) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL444686 0.83 CYP3A4 (0.52) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL3786681 0.79 CYP3A4 (0.48) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL1560923 0.78 CYP3A4 (0.45) CYP3A4TSHRALDH1A1HPGDALOX15
SCHEMBL29378444 0.78 PRKCI (0.38) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL33767 0.78 PRKCI (0.38) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL8594722 0.77 PRKCI (0.37) TSHRCA1CA2ALDH1A1HPGD
SCHEMBL146272 0.77 PRKCI (0.55) CYP3A4TSHRCA1CA2ALDH1A1
Hydrochloric Acid SCHEMBL5200042 0.77 THRB (0.41) CYP3A4TSHRALDH1A1THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 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 (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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 CYP3A4 325/4885TSHR 2524/4885CA1 3771/4885

“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.