SCHEMBL3946752

SCHEMBL3946752

OCC=C(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.45
MAOB P27338 1/20 0.45
CYP1B1 Q16678 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GRIN2B Q13224 1/20 0.44
KIF11 P52732 1/20 0.44
PDPK1 O15530 2/20 0.43
HSD11B1 P28845 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
SRD5A2 P31213 2/20 0.42
TRPV6 Q9H1D0 1/20 0.42
PTPN1 P18031 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL3946748 1.00 CYP1A1 (0.45) CYP1A1MAOBCYP1B1ALDH1A1TSHR
SCHEMBL1746517 0.84 GSK3B (0.43) CES2CES1SRD5A2PTPN1NR4A1
SCHEMBL1745104 0.84 TRPV1 (0.49) CYP1A1MAOBCYP1B1CES2CES1
SCHEMBL1745107 0.84 TRPV1 (0.49) CYP1A1MAOBCYP1B1CES2CES1
SCHEMBL1746518 0.84 GSK3B (0.43) CES2CES1SRD5A2PTPN1NR4A1
SCHEMBL1746513 0.84 GSK3B (0.43) CES2CES1SRD5A2PTPN1NR4A1
SCHEMBL1745106 0.84 TRPV1 (0.49) CYP1A1MAOBCYP1B1CES2CES1
SCHEMBL4630812 0.82 MTNR1A (0.48) ALDH1A1
SCHEMBL6419318 0.79 PTGS2 (0.44) ALDH1A1NPC1RAB9AHSD11B1
SCHEMBL6419316 0.79 PTGS2 (0.44) ALDH1A1NPC1RAB9AHSD11B1

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 916/4885MAOB 747/4885CYP1B1 382/4885

“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.