SCHEMBL1014987

SCHEMBL1014987

OCc1ccc(C(F)(F)F)cc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLF10 Q13118 1/20 0.44
IDO1 P14902 2/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CES2 O00748 3/20 0.39
MLYCD O95822 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PDE2A O00408 1/20 0.38
PTPN5 P54829 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
KIF11 P52732 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CES1 P23141 1/20 0.37
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37
TRPV6 Q9H1D0 1/20 0.37

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
SCHEMBL31085526 1.00 KLF10 (0.44) KLF10IDO1CYP3A4CYP2D6CES2
SCHEMBL24825592 0.88 IDO1 (0.42) KLF10IDO1CYP3A4CYP2D6CES2
SCHEMBL30184112 0.88 IDO1 (0.42) KLF10IDO1CYP3A4CYP2D6CES2
SCHEMBL10233691 0.88 ESR1 (0.43) KLF10IDO1CYP3A4CYP2D6CES2
Hydrochloric Acid SCHEMBL29187473 0.86 IDO1 (0.45) KLF10IDO1CYP3A4CYP2D6KDM4E
SCHEMBL16956734 0.85 VDR (0.44) KLF10IDO1CYP3A4CYP2D6PDE2A
SCHEMBL1993639 0.84 CES2 (0.52) IDO1CYP3A4CYP2D6CES2
SCHEMBL2161227 0.83 ESR1 (0.45) KLF10IDO1FFAR4
SCHEMBL561439 0.83 KLF10 (0.66) KLF10IDO1CYP2D6FFAR4SIRT2
SCHEMBL2000882 0.83 CES2 (0.50) KLF10IDO1CYP3A4CYP2D6CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4644384-A1 CYP11A1 INHIBITOR COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Lichun Biotech Co., Ltd. (CN) 2025-11-05 EP disclosed
WO-2024146383-A1 CYP11A1 INHIBITOR COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海闻耐医药科技有限公司 2024-07-11 WO disclosed
CN-118307519-A CYP11A1 inhibitor compound, preparation method and application thereof 上海闻耐医药科技有限公司 2024-07-09 CN disclosed
US-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 US disclosed
WO-2017135897-A1 A CATALYST FOR THE CARBONYLATION OF ALKENES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-08-10 WO disclosed
WO-2017135897-A1 A CATALYST FOR THE CARBONYLATION OF ALKENES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-08-10 WO disclosed
CN-101541760-B Diaminocyclohexane and diaminocyclopentane derivatives HOFFMAN-LA ROCHE LTD. (CH) 2012-02-08 CN disclosed
EP-2089368-B1 DIAMINOCYCLOHEXANE AND DIAMINOCYCLOPENTANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
US-7652053-B2 Diaminocycloalkane MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-01-26 US disclosed
CN-101541760-A Diaminocyclohexane and diaminocyclopentane derivatives HOFFMANN LA ROCHE (CH) 2009-09-23 CN disclosed
EP-2089368-A1 DIAMINOCYCLOHEXANE AND DIAMINOCYCLOPENTANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-08-19 EP disclosed
US-20080146636-A1 For therapy of obesity, hyperphagia, anxiety, depression and related disorders and diseases; cis-(S)-2-(1-{4-[(5-Bromo-indan-2-ylmethyl)-amino]-cyclohexyl}-5-chloro-1H-benzoimidazol-2-yl)-propan-2-ol ERICKSON SHAWN DAVID 2008-06-19 US disclosed
WO-2008065021-A1 DIAMINOCYCLOHEXANE AND DIAMINOCYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-05 WO disclosed
US-4178293-A Isoindolinyl derivatives ZOECON CORPORATION (US) 1979-12-11 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-20200239452-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 KLF10 2417/4885IDO1 1/4885CYP3A4 981/4885
US-20080146636-A1 For therapy of obesity, hyperphagia, anxiety, depression and related disorders and diseases; cis-(S)-2-(1-{4-[(5-Bromo-indan-2-ylmethyl)-amino]-cyclohexyl}-5-chloro-1H-benzoimidazol-2-yl)-propan-2-ol GPR119, GIPR, EBP KLF10 1750/4885IDO1 246/4885CYP3A4 1647/4885

“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.