SCHEMBL977515

SCHEMBL977515

CCCCCc1nccc(CCl)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
GPR84 Q9NQS5 1/20 0.37
DGAT1 O75907 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR8 Q9NR97 3/20 0.33
KDM4E B2RXH2 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL899234 0.87 KCNH2 (0.55) KCNH2GPR84DGAT1TDP1L3MBTL1
SCHEMBL27769288 0.86 KCNH2 (0.58) KCNH2GPR84TDP1L3MBTL1KDM4E
SCHEMBL27977748 0.86 KCNH2 (0.58) KCNH2GPR84TDP1L3MBTL1KDM4E
Ammonia Solution, Strong SCHEMBL28527210 0.84 KCNH2 (0.56) KCNH2GPR84DGAT1TDP1L3MBTL1
SCHEMBL20069351 0.83 KCNH2 (0.42) KCNH2GPR84DGAT1TDP1L3MBTL1
SCHEMBL27602449 0.81 KCNH2 (0.43) KCNH2TDP1TLR8
SCHEMBL14234022 0.80 KCNH2 (0.41) KCNH2GPR84TLR8KDM4E
SCHEMBL84523 0.79 KCNH2 (0.40) KCNH2GPR84DGAT1TDP1L3MBTL1
SCHEMBL16815234 0.77 TLR8 (0.36) KCNH2DGAT1TDP1L3MBTL1TLR8
SCHEMBL4860109 0.77 KCNH2 (0.43) KCNH2GPR84DGAT1TDP1L3MBTL1

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 KCNH2 3120/4885GPR84 963/4885DGAT1 1178/4885

“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.