SCHEMBL3939680

SCHEMBL3939680

O=C(O)/C=C/C=C(\c1ccc(C(F)(F)F)cc1)c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAOB P27338 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
MASP2 O00187 1/20 0.40
F2 P00734 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 3/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
SRD5A2 P31213 1/20 0.38

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
SCHEMBL3939684 1.00 RAB9A (0.41) RAB9ASMN1; SMN2KDM4EMAOBCYP1A1
SCHEMBL3939676 1.00 RAB9A (0.41) RAB9ASMN1; SMN2KDM4EMAOBCYP1A1
SCHEMBL3948328 0.87 KMT2A (0.51) RAB9ASMN1; SMN2KDM4EMASP2F2
SCHEMBL3948331 0.87 KMT2A (0.51) RAB9ASMN1; SMN2KDM4EMASP2F2
SCHEMBL3938860 0.86 KDM4E (0.49) RAB9ASMN1; SMN2KDM4EMAOBNR4A2
SCHEMBL3938865 0.86 KDM4E (0.49) RAB9ASMN1; SMN2KDM4EMAOBNR4A2
SCHEMBL3938858 0.86 KDM4E (0.49) RAB9ASMN1; SMN2KDM4EMAOBNR4A2
SCHEMBL3943707 0.84 KMT2A (0.42) RAB9ASMN1; SMN2MAOBMASP2F2
SCHEMBL3943709 0.84 KMT2A (0.42) RAB9ASMN1; SMN2MAOBMASP2F2
SCHEMBL3943703 0.84 KMT2A (0.42) RAB9ASMN1; SMN2MAOBMASP2F2

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 RAB9A 1128/4885SMN1; SMN2 3258/4885KDM4E 212/4885

“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.