SCHEMBL6936889

SCHEMBL6936889

O=C1CCCc2ccc(F)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.42
RAB9A P51151 7/20 0.42
CYP2A6 P11509 1/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
PARP1 P09874 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
PARP10 Q53GL7 1/20 0.40
KMT2A Q03164 4/20 0.38
HTT P42858 1/20 0.38
NOTUM Q6P988 1/20 0.37
KDM1A O60341 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 2/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL12430513 0.92 NPC1 (0.42) NPC1RAB9ACYP2A6NFKB1NFKB2
SCHEMBL3267926 0.88 CYP2A6 (0.54) NPC1RAB9ACYP2A6NFKB1NFKB2
SCHEMBL6584253 0.81 CYP1A2 (0.50) CYP2A6PARP1PARP10KMT2ANOTUM
SCHEMBL31593929 0.81 NPC1 (0.52) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL798296 0.81 NPC1 (0.52) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL588036 0.80 CYP2A6 (0.54) NPC1RAB9ACYP2A6NFKB1NFKB2
Ethane SCHEMBL28782548 0.77 NPC1 (0.49) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL6195008 0.77 METAP1 (0.44) CYP2A6PARP1PARP10ALDH1A1CA12
SCHEMBL5143608 0.77 HTR2A (0.46) CYP2A6SMN1; SMN2PARP1PARP10KMT2A
SCHEMBL8766852 0.77 HSD17B10 (0.44) NPC1RAB9ACYP2A6SMN1; SMN2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 EP disclosed
US-20070225528-A1 Process for Producing Optically Active Alcohol NAGOYA INDUSTRIAL SCIENCE RESEARCH CENTER (JP) 2007-09-27 US disclosed
EP-1741693-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS Nagoya Industrial Science Research Institute (JP) 2007-01-10 EP disclosed
US-20040198791-A1 Fused imidazole derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-07 US 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 (2 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-20070225528-A1 Process for Producing Optically Active Alcohol ADH1C, ADH1A, ADH5 NPC1 4379/4885RAB9A 2727/4885CYP2A6 1034/4885
US-20040198791-A1 Fused imidazole derivative H1-0, H1-5, H1-3 NPC1 1784/4885RAB9A 2021/4885CYP2A6 713/4885

“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.