SCHEMBL3942285

SCHEMBL3942285

COc1cccc(C(=CC=CC(=O)O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.48
CYP1B1 Q16678 2/20 0.48
KDR P35968 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAOB P27338 5/20 0.46
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TP53 P04637 1/20 0.43
PTAFR P25105 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL3942276 1.00 CYP1A1 (0.48) CYP1A1CYP1B1KDRCYP1A2CYP3A4
SCHEMBL3942282 1.00 CYP1A1 (0.48) CYP1A1CYP1B1KDRCYP1A2CYP3A4
SCHEMBL3939639 0.89 MEN1 (0.44) CYP1A1CYP1B1KDRCYP3A4CYP2C19
SCHEMBL3939647 0.89 MEN1 (0.44) CYP1A1CYP1B1KDRCYP3A4CYP2C19
SCHEMBL3939644 0.89 MEN1 (0.44) CYP1A1CYP1B1KDRCYP3A4CYP2C19
SCHEMBL4088036 0.88 ESR1 (0.42) CYP1A1CYP1B1KDRMAOBNPC1
SCHEMBL4088046 0.88 ESR1 (0.42) CYP1A1CYP1B1KDRMAOBNPC1
SCHEMBL4088042 0.88 ESR1 (0.42) CYP1A1CYP1B1KDRMAOBNPC1
SCHEMBL4097921 0.88 CYP1A1 (0.56) CYP1A1CYP1B1KDRMAOBPTAFR
SCHEMBL4097918 0.88 CYP1A1 (0.56) CYP1A1CYP1B1KDRMAOBPTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 CYP1A1 916/4885CYP1B1 382/4885KDR 2225/4885

“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.