SCHEMBL4420510

SCHEMBL4420510

CC(=O)c1ccc2c(c1)C(C)(C)CC(C)(C)O2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SSTR5 P35346 1/20 0.43
RARB P10826 6/20 0.41
RARG P13631 6/20 0.41
RARA P10276 5/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
RXRA P19793 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP26A1 O43174 1/20 0.37
CYP26B1 Q9NR63 1/20 0.37
HSD17B1 P14061 1/20 0.36

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
SCHEMBL5736575 0.88 SSTR5 (0.50) AKR1B1SSTR5RARBRARGRARA
SCHEMBL13668278 0.88 KDM4E (0.43) AKR1B1KDM4ERARBRARGRARA
SCHEMBL8865292 0.82 AKR1B1 (0.41) AKR1B1KDM4ESSTR5RARBRARG
SCHEMBL4516578 0.80 CA12 (0.46) AKR1B1KDM4ESSTR5RARBRARA
Terephthalic Acid SCHEMBL9872879 0.80 SSTR5 (0.49) AKR1B1SSTR5RARBRARGRARA
SCHEMBL9076000 0.79 RARB (0.71) KDM4ERARBRARGRARANPC1
SCHEMBL9076001 0.79 RARB (0.71) KDM4ERARBRARGRARANPC1
SCHEMBL9076004 0.79 RARB (0.71) KDM4ERARBRARGRARANPC1
SCHEMBL3547915 0.78 RARB (0.63) AKR1B1KDM4ERARBRARGRARA
SCHEMBL9850145 0.77 SSTR5 (0.46) SSTR5RARBRARGRARARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
US-7351737-B2 4-[(8-substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-YL-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity ALLERGAN, INC. (US) 2008-04-01 US disclosed
US-7351737-B2 4-[(8-substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-YL-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity ALLERGAN, INC. (US) 2008-04-01 US disclosed
US-7351737-B2 4-[(8-substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-YL-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity ALLERGAN, INC. (US) 2008-04-01 US disclosed
EP-1704139-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RAR y RETINOID RECEPTORS Allergan, Inc. (US) 2006-09-27 EP disclosed
EP-1280757-B1 NEW GAMMA SELECTIVE RETINOIDS HOFFMANN LA ROCHE (CH) 2005-08-17 EP disclosed
WO-2005066116-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RARϜ RETINOID RECEPTORS ALLERGAN, INC. (US) 2005-07-21 WO disclosed
US-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors ALLERGAN, INC. 2005-07-07 US disclosed
WO-1992006084-A1 CHROMANS AND THIOCHROMANS WITH RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1992-04-16 WO disclosed
US-5053523-A Chemical intermediate for compounds having retinoic acid-like activity ALLERGAN, INC. (US) 1991-10-01 US disclosed
US-5045551-A Acetylenes disubstituted with a heteroaromatic group and a 2-substituted chromanyl, thiochromanyl or 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity ALLERGAN, INC. (US) 1991-09-03 US disclosed
EP-0435681-A1 Chroman esters of phenols and benzoic acids having retinoid-like activity ALLERGAN, INC. (US) 1991-07-03 EP disclosed
US-5023341-A Acetylene thiochroman ALLERGAN, INC. (US) 1991-06-11 US disclosed
US-5006550-A Skin disorder, arthritis, wound healing agents, dry eye syndrome ALLERGAN, INC. (US) 1991-04-09 US disclosed
EP-0419130-A2 Acetylenes disubstituted with a heteroaromatic group and A 2-substituted chromanyl, thiochromanyl or 1,2,3,4- tetrahydroquinolinyl group having retinoid-like activity ALLERGAN, INC. (US) 1991-03-27 EP 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
EP-0419131-A2 Acetylenes disubstituted with a phenyl group and a 2-substituted chromanyl, thiochromanyl or 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity ALLERGAN, INC. (US) 1991-03-27 EP disclosed
US-4980369-A ANTIARTHRITIC AGENTS, SKIN DISORDERS, ANTIULCER AGENTS, WOUND HEALING AGENTS ALLERGAN, INC. (US) 1990-12-25 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 (1 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-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors RARG, RXRG, RARB AKR1B1 198/4885KDM4E 3446/4885SSTR5 2792/4885

“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.