SCHEMBL248152

SCHEMBL248152

CC1(C)CC(=O)Nc2ccc(Br)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.54
AHR P35869 1/20 0.54
HDAC3 O15379 5/20 0.49
HDAC4 P56524 5/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC2 Q92769 5/20 0.49
HDAC8 Q9BY41 5/20 0.49
HDAC6 Q9UBN7 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TDP2 O95551 1/20 0.44
LMNA P02545 2/20 0.42
AKR1B1 P15121 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
BRD4 O60885 1/20 0.41

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
SCHEMBL6578651 0.86 CMA1 (0.59) CMA1AHRHDAC3HDAC4HDAC1
SCHEMBL30885057 0.86 CMA1 (0.59) CMA1AHRHDAC3HDAC4HDAC1
SCHEMBL3988857 0.83 CMA1 (0.47) CMA1AHRKMT2AMEN1TDP2
SCHEMBL2242664 0.81 CYP1A2 (0.49) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL23078930 0.79 HDAC3 (0.49) CMA1AHRHDAC3HDAC4HDAC1
SCHEMBL1771822 0.79 CA9 (0.49) CMA1AHRHDAC3HDAC4HDAC1
SCHEMBL12072390 0.79 HDAC3 (0.46) CMA1AHRHDAC3HDAC4HDAC1
SCHEMBL17675519 0.79 HDAC3 (0.46) CMA1AHRHDAC3HDAC4HDAC1
SCHEMBL5643759 0.79 PGR (0.51) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL19260231 0.79 AHR (0.54) CMA1AHRHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2003-07-10 US claimed
JP-2003508387-A 2003-03-04 JP claimed
CN-1382124-A Bicyclic androgen and progesterone receptor modulating compounds and methods LIGAND PHARM INC (US) 2002-11-27 CN claimed
EP-1212303-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP claimed
WO-2001016108-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 WO claimed
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2024-05-28 US disclosed
US-20210163415-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-06-03 US disclosed
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-03-16 US disclosed
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2020-02-27 US disclosed
EP-2582667-B1 HETEROCYCLIC SUBSTITUTED METHOXYPHENYL DERIVATIVES WITH OXOGROUP, METHOD FOR PRODUCING SAME AND USE AS GPR40 RECEPTOR MODULATORS SANOFI SA (FR) 2014-03-19 EP disclosed
EP-2582667-B1 HETEROCYCLIC SUBSTITUTED METHOXYPHENYL DERIVATIVES WITH OXOGROUP, METHOD FOR PRODUCING SAME AND USE AS GPR40 RECEPTOR MODULATORS SANOFI SA (FR) 2014-03-19 EP disclosed
US-8530413-B2 Heterocyclically substituted methoxyphenyl derivatives with an oxo group, processes for preparation thereof and use thereof as medicaments SANOFI (FR) 2013-09-10 US disclosed
US-5348972-A In treatment of skin disorders such as acne and psoriasis ALLERGAN, INC. (US) 1994-09-20 US disclosed
US-5248777-A Inhibitors of ornithine decarboxylase ALLERGAN, INC. (US) 1993-09-28 US disclosed
US-5234926-A Skin disorders ALLERGAN, INC. (US) 1993-08-10 US disclosed
US-5089509-A Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity ALLERGAN, INC. (US) 1992-02-18 US disclosed
US-5053523-A Chemical intermediate for compounds having retinoic acid-like activity ALLERGAN, INC. (US) 1991-10-01 US disclosed
US-5023341-A Acetylene thiochroman ALLERGAN, INC. (US) 1991-06-11 US disclosed
CN-1050385-A Preparation has bioactive method and the intermediate that has the compound of disubstituted acetylene moiety of retinoic acid-like ALLERGAN INC (US) 1991-04-03 CN disclosed
EP-0419132-A2 Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity ALLERGAN, INC. (US) 1991-03-27 EP 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 (5 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-20210163415-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT CMA1 4145/4885AHR 258/4885HDAC3 886/4885
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, XPOT CMA1 4145/4885AHR 258/4885HDAC3 886/4885
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, CDYL2 CMA1 4115/4885AHR 240/4885HDAC3 1257/4885
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT CMA1 4145/4885AHR 258/4885HDAC3 886/4885
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR CMA1 2245/4885AHR 203/4885HDAC3 486/4885

“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.