SCHEMBL3583014

SCHEMBL3583014

O[C@H]1CCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
TSHR P16473 2/20 0.49
BLM P54132 1/20 0.49
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC18A3 Q16572 1/20 0.45
CAMK2A Q9UQM7 1/20 0.45

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
SCHEMBL59026 1.00 IDO1 (0.53) IDO1TSHRBLMHTTALDH1A1
SCHEMBL3596545 1.00 IDO1 (0.53) IDO1TSHRBLMHTTALDH1A1
SCHEMBL29449692 1.00 IDO1 (0.53) IDO1TSHRBLMHTTALDH1A1
Benzene SCHEMBL28873131 0.98 IDO1 (0.52) IDO1TSHRBLMHTTALDH1A1
Hydrochloric Acid SCHEMBL22770167 0.98 IDO1 (0.55) IDO1TSHRBLMHTTALDH1A1
Bromide SCHEMBL9033434 0.98 IDO1 (0.52) IDO1TSHRBLMHTTALDH1A1
Water SCHEMBL28334394 0.98 IDO1 (0.52) IDO1TSHRBLMHTTALDH1A1
SCHEMBL29622997 0.94 TSHR (0.48) IDO1TSHRBLMHTTEPHX1
SCHEMBL29182252 0.94 TSHR (0.48) IDO1TSHRBLMHTTEPHX1
SCHEMBL2192515 0.94 TSHR (0.48) IDO1TSHRBLMHTTEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179624-B2 Preparing precursors for agrochemical and pharmeceutical agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-02-20 US claimed
US-6589777-B1 Use to prepare enantiomerically pure precursor material for sertraline synthesis - \"(4S) tetralone\" or 4-(3,4-dichloro-phenyl)-3,4-dihydro-1(2H)-naphthalenone and for subsequent use in preparation of antidepressant and anorectic agents PFIZER INC. 2003-07-08 US claimed
CN-122036638-A AKR1C3 inhibitor with tricyclic structure and application thereof 中国药科大学 2026-05-15 CN disclosed
US-20260035340-A1 INHIBITORS OF AKR1C3 AND METHODS OF USE UNIV NEBRASKA (US) 2026-02-05 US disclosed
CN-119735606-A Preparation method of gem-bis (boron group) -containing cyclopropane compound 南京工业大学 2025-04-01 CN disclosed
CN-115974850-B Compound serving as AKR1C3 inhibitor as well as preparation method and application thereof 中国药科大学 2024-08-06 CN disclosed
CN-118184642-A Aromatic ring system heterocycle compound, and pharmaceutical composition and application thereof 中国药科大学 2024-06-14 CN disclosed
CN-117886734-A Heterocyclic amide compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-04-16 CN disclosed
WO-2024035780-A1 AKR1C3 TARGETED HETEROBIFUNCTIONAL SMALL MOLECULE PROTEOLYSIS TARGETING CHIMERAS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2024-02-15 WO disclosed
WO-2024030627-A1 INHIBITORS OF AKR1C3 AND METHODS OF USE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2024-02-08 WO disclosed
US-11738004-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2023-08-29 US disclosed
US-6005133-A STEREOSELECTIVELY REDUCING PROCHIRAL KETONE TO ENANTIOMERICALLY PURE ALCOHOL BY REACTING SAID KETONE WITH BORANE REDUCING AGENT USING OXAZABOROLIDINE CATALYST PFIZER INC. (US) 1999-12-21 US disclosed
EP-0698028-B1 ENANTIOSELECTIVE OXAZABOROLIDINE CATALYSTS PFIZER (US) 1997-02-26 EP disclosed
CN-1124962-A Enantioselective oxazaborolidine catalysts PFIZER (US) 1996-06-19 CN disclosed
EP-0698028-A1 ENANTIOSELECTIVE OXAZABOROLIDINE CATALYSTS PFIZER (US) 1996-02-28 EP disclosed
WO-1994026751-A1 ENANTIOSELECTIVE OXAZABOROLIDINE CATALYSTS PFIZER INC. (US) 1994-11-24 WO disclosed
EP-0608002-A1 Optically active compounds UNIVERSITY OF STRATHCLYDE (GB) 1994-07-27 EP disclosed
US-4959472-A Process for preparing substantially pure diastereoisomers of tetrahydrofolic derivatives UNIVERSITY OF STRATHCLYDE (GB) 1990-09-25 US disclosed
EP-0266042-A2 Optically active pteridine derivatives University of Strathclyde (GB) 1988-05-04 EP disclosed
US-4497960-A Chiral, optically active compounds useful as protective groups for hydroxy, thiol and amino compounds NOE CHRISTIAN (AT) 1985-02-05 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-11738004-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer AKR1C3, AKR1C4, AKR1C1 IDO1 439/4885TSHR 4160/4885BLM 4670/4885
US-20260035340-A1 INHIBITORS OF AKR1C3 AND METHODS OF USE AKR1C3, AKR1C2, AKR1C1 IDO1 3090/4885TSHR 1190/4885BLM 4729/4885

“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.