SCHEMBL2990875

SCHEMBL2990875

Cc1[c]c(C)cc(-c2c(Cl)cccc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.41
GRIA1 P42261 2/20 0.38
CACNG8 Q8WXS5 2/20 0.38
ALDH1A1 P00352 1/20 0.35
YES1 P07947 1/20 0.34
EPHB4 P54760 1/20 0.34
HSP90AA1 P07900 2/20 0.33
AHR P35869 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
CNR1 P21554 1/20 0.33
PBRM1 Q86U86 1/20 0.33
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
FGFR1 P11362 1/20 0.32
FABP3 P05413 1/20 0.32
FABP4 P15090 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
SCHEMBL3824770 0.82 SRC (0.41) SRCGRIA1CACNG8ALDH1A1CYP1A2
SCHEMBL8050742 0.81 GRIA1 (0.44) SRCGRIA1CACNG8ALDH1A1HSP90AA1
SCHEMBL20072696 0.78 GRIA1 (0.47) SRCGRIA1CACNG8ALDH1A1AHR
SCHEMBL29256281 0.78 GRIA1 (0.37) SRCGRIA1CACNG8ALDH1A1CYP1A2
SCHEMBL1815223 0.77 GRIA1 (0.40) SRCGRIA1CACNG8ALDH1A1AHR
SCHEMBL15637198 0.77 CYP2A6 (0.52) ALDH1A1CYP2A6LMNA
SCHEMBL1047283 0.75 PBRM1 (0.42) SRCGRIA1CACNG8ALDH1A1CYP1A2
SCHEMBL15637269 0.74 TTR (0.38) CYP1A2PBRM1
SCHEMBL4448776 0.74 AHR (0.46) SRCGRIA1CACNG8ALDH1A1HSP90AA1
SCHEMBL4453583 0.72 AHR (0.64) SRCGRIA1CACNG8ALDH1A1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197736-A1 CETP ACTIVITY INHIBITORS JAPAN TOBACCO INC. (JP) 2010-08-05 US 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-20100197736-A1 CETP ACTIVITY INHIBITORS CETP, MTTP, CES1 SRC 2061/4885GRIA1 4126/4885CACNG8 3113/4885

“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.