SCHEMBL1029016

SCHEMBL1029016

N#Cc1cccc(-c2cccc(O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.58
HSD17B2 P37059 5/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
XDH P47989 1/20 0.56
SLC22A12 Q96S37 1/20 0.56
CLK4 Q9HAZ1 1/20 0.53
AR P10275 1/20 0.51
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTPN5 P54829 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47

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
SCHEMBL30165928 1.00 HSD17B1 (0.58) HSD17B1HSD17B2CYP3A4CYP2C9XDH
Phenol SCHEMBL28023686 0.88 XDH (0.57) HSD17B1HSD17B2CYP3A4CYP2C9XDH
SCHEMBL1330201 0.87
SCHEMBL51546 0.87
SCHEMBL29566889 0.87
SCHEMBL2154026 0.87 CLK4 (0.65) XDHSLC22A12CLK4PTPN5GABRA1
SCHEMBL31398107 0.86 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9AR
SCHEMBL322948 0.86 MMP3 (0.63) HSD17B1HSD17B2CYP3A4CYP2C9XDH
SCHEMBL1029367 0.86 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9AR
SCHEMBL7397116 0.85 ENPP2 (0.52) CYP3A4XDHSLC22A12CLK4ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115558110-B Polymer and preparation method thereof, gel and dielectric material 宁夏清研高分子新材料有限公司 2023-07-21 CN disclosed
CN-115558110-A Polymer, preparation method thereof, gel and dielectric material 宁夏清研高分子新材料有限公司 2023-01-03 CN disclosed
EP-2576507-B1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2017-04-05 EP disclosed
US-8835418-B2 Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application SANOFI (FR) 2014-09-16 US disclosed
US-20130165422-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2013-06-27 US disclosed
EP-2576507-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2013-04-10 EP disclosed
WO-2011151808-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2011-12-08 WO disclosed
WO-2011034828-A1 SUBSTITUTED PARA-BIPHENYLOXYMETHYL DIHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 WO disclosed
EP-1957493-B1 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS ORGANON NV (NL) 2011-01-19 EP disclosed
US-7605170-B2 8-azabicyclo[3.2.1]octane derivatives N.V. ORGANON (NL) 2009-10-20 US disclosed
US-20070185156-A1 8-Azabicyclo[3.2.1]octane derivatives N.V. ORGANON (NL) 2007-08-09 US disclosed
US-5262052-A Separation of polycyclic aromatic hydrocarbons BRIGHAM YOUNG UNIVERSITY (US) 1993-11-16 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-20130165422-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION F7, MGMT, CA13 HSD17B1 4081/4885HSD17B2 4187/4885CYP3A4 3590/4885
US-20070185156-A1 8-Azabicyclo[3.2.1]octane derivatives SLC22A8, SLCO1B3, SLCO1B1 HSD17B1 1363/4885HSD17B2 1275/4885CYP3A4 433/4885

“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.