SCHEMBL4094791

SCHEMBL4094791

COc1ccccc1C(=CC=CC(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 10/20 0.44
CYP1B1 Q16678 10/20 0.44
MAOB P27338 3/20 0.44
RAB9A P51151 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
CXCL12 P48061 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
DPP4 P27487 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4094783 1.00 CYP1A1 (0.44) CYP1A1CYP1B1MAOBRAB9AGAA
SCHEMBL4094788 1.00 CYP1A1 (0.44) CYP1A1CYP1B1MAOBRAB9AGAA
SCHEMBL3939990 0.87 HPGD (0.44) CYP1A1CYP1B1MAOBRAB9ASMN1; SMN2
SCHEMBL3941610 0.87 RXFP1 (0.43) CYP1A1CYP1B1MAOBRAB9ASMN1; SMN2
SCHEMBL3939989 0.87 HPGD (0.44) CYP1A1CYP1B1MAOBRAB9ASMN1; SMN2
SCHEMBL3939986 0.87 HPGD (0.44) CYP1A1CYP1B1MAOBRAB9ASMN1; SMN2
SCHEMBL3941605 0.87 RXFP1 (0.43) CYP1A1CYP1B1MAOBRAB9ASMN1; SMN2
SCHEMBL3941608 0.87 RXFP1 (0.43) CYP1A1CYP1B1MAOBRAB9ASMN1; SMN2
SCHEMBL10398890 0.85 MAOB (0.51) CYP1B1MAOBRAB9AGAASMN1; SMN2
SCHEMBL10398891 0.85 MAOB (0.51) CYP1B1MAOBRAB9AGAASMN1; SMN2

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 382/4885MAOB 747/4885

“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.