SCHEMBL980481

SCHEMBL980481

CCCCCc1nccc(CSc2ccc(O)c(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
ESR1 P03372 10/20 0.36
ESR2 Q92731 2/20 0.35
LTB4R Q15722 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TYR P14679 1/20 0.32

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
SCHEMBL978946 0.82 PPARD (0.47)
SCHEMBL978748 0.80 TSHR (0.41) LTB4R
SCHEMBL977423 0.80 PPARD (0.49) LTB4R
SCHEMBL12909780 0.74 L3MBTL1 (0.43) ESR1ESR2TLR8
SCHEMBL899234 0.72 KCNH2 (0.55) LTB4RTLR8
SCHEMBL20069351 0.71 KCNH2 (0.42) ESR1
SCHEMBL27977748 0.70 KCNH2 (0.58) ESR1LTB4R
SCHEMBL27769288 0.70 KCNH2 (0.58) ESR1LTB4R
SCHEMBL22075892 0.70 ESR1 (0.49) ARESR1ESR2
SCHEMBL22075713 0.70 ESR1 (0.49) ARESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184277-B1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2015-07-01 EP disclosed
US-8759355-B2 Aryl pyrimidine derivatives, preparation methods and pharmaceutical uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. (CN) 2014-06-24 US disclosed
US-20110009427-A1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF INSTITUE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2011-01-13 US disclosed
EP-2184277-A1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2010-05-12 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-20110009427-A1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF PPARD, PPARG, PPARA AR 511/4885ESR1 2070/4885ESR2 1396/4885

“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.