SCHEMBL2439007

SCHEMBL2439007

O=C(Cc1ccccc1)CC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
EPHX2 P34913 3/20 0.56
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
EPHX1 P07099 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FAAH O00519 1/20 0.44

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
SCHEMBL11880408 0.98 NPC1 (0.57) NPC1RAB9AEPHX2TAAR1ALDH1A1
SCHEMBL20348676 0.92 NPC1 (0.52) NPC1RAB9AEPHX2TAAR1ALDH1A1
SCHEMBL10204064 0.91 CES2 (0.50) NPC1RAB9AEPHX2ALDH1A1CES2
SCHEMBL8059347 0.81 NPC1 (0.54) NPC1RAB9AEPHX2ALDH1A1KDM4E
SCHEMBL9355178 0.81 NPC1 (0.55) NPC1RAB9AEPHX2TAAR1ALDH1A1
SCHEMBL9355594 0.81 NPC1 (0.55) NPC1RAB9AEPHX2TAAR1ALDH1A1
Hydrochloric Acid SCHEMBL10527779 0.81 CYP19A1 (0.55) NPC1RAB9AALDH1A1KDM4EEPHX1
SCHEMBL10528771 0.81 CYP19A1 (0.55) ALDH1A1KDM4EEPHX1MEN1KMT2A
SCHEMBL16178630 0.80 NPC1 (0.54) NPC1RAB9AEPHX2
SCHEMBL7501904 0.79 DRD2 (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed
WO-2021125695-A1 CURABLE COMPOSITION FOR INKJET PRINTING, AND ORGANIC LIGHT-EMITTING DISPLAY DEVICE COMPRISING SAME 주식회사 두산 2021-06-24 WO disclosed
EP-1403260-B1 Optically active epoxy compounds and processes for their production TOSOH CORP (JP) 2007-08-08 EP disclosed
US-7169944-B2 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2007-01-30 US disclosed
US-20040063979-A1 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2004-04-01 US disclosed
EP-1403260-A2 Optically active epoxy compounds and processes for their production Tosoh Corporation (JP) 2004-03-31 EP disclosed
US-4067886-A REACTING KETONES AND KETALS WITH HALOGEN LEVER BROTHERS COMPANY (US) 1978-01-10 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 (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-20040063979-A1 Optically active epoxy compounds and processes for their production CYP51A1, CYP11B1, PTGES NPC1 1480/4885RAB9A 931/4885EPHX2 65/4885

“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.