SCHEMBL1382052

SCHEMBL1382052

CC1CCCC(C)(C)C1O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
ENTPD5 O75356 1/20 0.33
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5154032 1.00 CA1 (0.40) CA1CA2CA4CYP3A4MAPT
SCHEMBL5155621 1.00 CA1 (0.40) CA1CA2CA4CYP3A4MAPT
SCHEMBL10581109 0.84
SCHEMBL11018131 0.82 MAPT (0.30) MAPT
SCHEMBL5694293 0.80
SCHEMBL5831610 0.78 CA1 (0.39) CA1CA2CA4KDM4EALDH1A1
SCHEMBL1380363 0.77 CYP3A4 (0.41) CA1CA2CA4CYP3A4MAPT
SCHEMBL18029933 0.76
SCHEMBL1660636 0.76
SCHEMBL17971806 0.76

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4717006-B2 2011-07-06 JP claimed
EP-1687292-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-22 EP claimed
US-20070149810-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY (US) 2007-06-28 US claimed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US claimed
EP-1687292-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP claimed
WO-2005051940-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 WO claimed
EP-3394068-B1 TDO2 INHIBITORS GENENTECH INC (US) 2024-09-11 EP disclosed
CN-110072864-B TDO2 inhibitors 基因泰克公司 2022-05-27 CN disclosed
US-9072676-B2 Cyclohexyl carbamate compounds as skin and/or hair lightening actives SYMRISE AG (DE) 2015-07-07 US disclosed
US-9072676-B2 Cyclohexyl carbamate compounds as skin and/or hair lightening actives SYMRISE AG (DE) 2015-07-07 US disclosed
US-9012497-B2 Cyclohexyl carbamate compounds as active anti-cellulite ingredients SYMRISE AG (DE) 2015-04-21 US disclosed
US-9012497-B2 Cyclohexyl carbamate compounds as active anti-cellulite ingredients SYMRISE AG (DE) 2015-04-21 US disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
EP-1129695-A1 Cosmetic or dermatological sunscreen formulations BASF AKTIENGESELLSCHAFT (DE) 2001-09-05 EP disclosed
US-4608445-A ORGANOLEPTIC FIRMENICH SA (CH) 1986-08-26 US disclosed
EP-0059912-B1 PROCESS FOR PREPARING EARPLUGS OF SYNTHETIC FOAM REHAU AG + Co (DE) 1985-02-06 EP disclosed
EP-0081699-B1 ALICYCLIC COMPOUNDS, THEIR USE AS PERFUME OR FLAVOURING AGENTS AND PROCESS FOR THEIR PREPARATION FIRMENICH SA (CH) 1985-01-23 EP disclosed
EP-0081699-A1 Alicyclic compounds, their use as perfume or flavouring agents and process for their preparation FIRMENICH SA (CH) 1983-06-22 EP disclosed
EP-0059912-A1 Process for preparing earplugs of synthetic foam REHAU AG + Co (DE) 1982-09-15 EP disclosed
US-4040977-A HALOACETAMIDE OR THIOCYANOACETAMIDE-ALCOHOL-FORMALDEHYDE CONDENSATES STERLING DRUG INC. (US) 1977-08-09 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-20070106095-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 CA1 4549/4885CA2 2131/4885CA4 1763/4885
US-20070149810-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 CA1 4362/4885CA2 1699/4885CA4 1398/4885

“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.