SCHEMBL3948258

SCHEMBL3948258

O=C(O)/C=C/C=C(/c1ccc(C(F)(F)F)cc1)c1cccc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
P2RX1 P51575 1/20 0.44
BAZ1A Q9NRL2 1/20 0.42
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
MAOB P27338 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL3948262 1.00 NPC1 (0.48) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL3948261 1.00 NPC1 (0.48) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL3945472 0.88 MAOB (0.51) NPC1RAB9AP2RX1CYP1A1CYP1B1
SCHEMBL3944870 0.88 MAOB (0.51) NPC1RAB9AP2RX1CYP1A1CYP1B1
SCHEMBL3944874 0.88 MAOB (0.51) NPC1RAB9AP2RX1CYP1A1CYP1B1
SCHEMBL3945561 0.87 MAOB (0.43) MEN1KMT2ACYP1A1CYP1B1MAOB
SCHEMBL3945565 0.87 MAOB (0.43) MEN1KMT2ACYP1A1CYP1B1MAOB
SCHEMBL3945568 0.87 MAOB (0.43) MEN1KMT2ACYP1A1CYP1B1MAOB
SCHEMBL3938666 0.86 CYP1A1 (0.52) LMNAMAPTKMT2ACYP1A1CYP1B1
SCHEMBL3938660 0.86 CYP1A1 (0.52) LMNAMAPTKMT2ACYP1A1CYP1B1

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 NPC1 3999/4885RAB9A 1128/4885MEN1 291/4885

“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.