SCHEMBL19082499

SCHEMBL19082499

CSc1cc(C)c(-c2cc(Br)ccc2F)cc1-c1c(F)ccc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 1/20 0.34
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
ALOX5 P09917 2/20 0.31
PTGES O14684 1/20 0.31
CYP2A6 P11509 1/20 0.31
HPRT1 P00492 1/20 0.31
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL19091610 0.93 NMUR2 (0.35) NMUR2TP53THRBALOX5PTGES
SCHEMBL19082492 0.82 MAPT (0.41) NMUR2TP53THRBALOX5PTGES
SCHEMBL19091475 0.81 NMUR2 (0.38) NMUR2TP53THRBALOX5PTGES
SCHEMBL19082466 0.80 NMUR2 (0.38) NMUR2TP53THRBALOX5PTGES
SCHEMBL19082490 0.77 NMUR2 (0.43) NMUR2ALOX5PTGESCYP2A6HPRT1
SCHEMBL19082498 0.77 MEN1 (0.40) THRBCYP2A6HPRT1CYP1A1CYP1A2
SCHEMBL19082495 0.76 NMUR2 (0.37) NMUR2TP53THRBPTGESCYP2A6
SCHEMBL19091030 0.76 MAPT (0.44) NMUR2NPC1HTT
SCHEMBL19082471 0.75 NMUR2 (0.46) NMUR2ALOX5PTGESCYP2A6HPRT1
SCHEMBL19082477 0.75 NMUR2 (0.38) NMUR2PTGESCYP2A6HPRT1CYP1A1

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-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 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-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 NMUR2 2800/4885TP53 3474/4885THRB 4466/4885

“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.