SCHEMBL19082512

SCHEMBL19082512

Cc1ccc(-c2cc3ccccc3cc2F)c(C)c1-c1ccc(Br)cc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.37
CYP2A6 P11509 1/20 0.37
NMUR2 Q9GZQ4 1/20 0.36
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
DHODH Q02127 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DGAT1 O75907 1/20 0.31
ALOX5 P09917 2/20 0.31
PTGES O14684 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
MBNL1 Q9NR56 1/20 0.31
CYP3A4 P08684 1/20 0.30
PTGFR P43088 1/20 0.30
POLB P06746 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL19077647 0.75 CYP2A6 (0.42) CYP2A6MEN1KMT2APTGESMBNL1
SCHEMBL19082511 0.74 CYP2A6 (0.37) ARCYP2A6NMUR2MEN1KMT2A
SCHEMBL19082487 0.74 NPC1 (0.39) ARCYP2A6NMUR2ALOX5PTGES
SCHEMBL19091236 0.73 NMUR2 (0.33) ARCYP2A6NMUR2
SCHEMBL9110357 0.70 CYP2A6 (0.45) ARCYP2A6NMUR2MEN1KMT2A
SCHEMBL19082485 0.70 NMUR2 (0.45) ARCYP2A6NMUR2MEN1KMT2A
SCHEMBL19091476 0.70 NPC1 (0.42) CYP2A6NMUR2TP53THRBPTGFR
SCHEMBL9105602 0.69 NPC1 (0.44) CYP2A6MEN1KMT2ATP53POLB
SCHEMBL19082509 0.68 CYP2A6 (0.47) CYP2A6MEN1KMT2ATP53MBNL1
SCHEMBL27013899 0.68 ACHE (0.42) ARCYP3A4

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 AR 3497/4885CYP2A6 2198/4885NMUR2 2800/4885

“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.