SCHEMBL7155758

SCHEMBL7155758

CC1(C)CCC(C)(C)c2cc(NC(=O)c3cc(F)c(C(=O)O)c(F)c3)ccc21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 13/20 0.80
RARB P10826 12/20 0.80
RARG P13631 11/20 0.80
CYP26A1 O43174 5/20 0.70
CYP3A4 P08684 4/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
PGR P06401 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
TBXA2R P21731 1/20 0.70
BLVRB P30043 1/20 0.70
CYP1A2 P05177 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
ALDH1A1 P00352 1/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP26B1 Q9NR63 2/20 0.60
CYP2D6 P10635 1/20 0.54
RXRA P19793 6/20 0.46

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
SCHEMBL7152370 0.85 RARB (0.91) RARARARBRARGCYP26A1CYP3A4
SCHEMBL7755634 0.84 RARA (0.57) RARARARBRARGCYP26A1CYP3A4
Tamibarotene SCHEMBL29373818 0.83 RARB (1.00) RARARARBRARGCYP26A1CYP3A4
Tamibarotene SCHEMBL36207 0.83 RARB (1.00) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8461304 0.82 RARA (0.78) RARARARBRARGCYP26A1CYP3A4
Tamibarotene SCHEMBL21055743 0.82 RARB (0.97) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8461601 0.81 CYP26A1 (0.82) RARARARBRARGCYP26A1CYP3A4
SCHEMBL30590581 0.81 RARA (1.00) RARARARBRARGCYP26A1CYP3A4
SCHEMBL1615110 0.78 RARA (0.80) RARARARBRARGCYP26A1CYP3A4
SCHEMBL19560600 0.78 RARA (0.80) RARARARBRARGCYP26A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876330-B1 ARYL OR HETEROARYL AMIDES OF TETRAHYDRONAPHTHALENE, CHROMAN, THIOCHROMAN AND 1,2,3,4-TETRAHYDROQUINOLINE CARBOXYLIC ACIDS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES INC (US) 2001-03-28 EP claimed
EP-0876330-A1 ARYL OR HETEROARYL AMIDES OF TETRAHYDRONAPHTHALENE, CHROMAN, THIOCHROMAN AND 1,2,3,4-TETRAHYDROQUINOLINE CARBOXYLIC ACIDS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1998-11-11 EP claimed
WO-1997019052-A1 ARYL OR HETEROARYL AMIDES OF TETRAHYDRONAPHTHALENE, CHROMAN, THIOCHROMAN AND 1,2,3,4-TETRAHYDROQUINOLINE CARBOXYLIC ACIDS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1997-05-29 WO claimed
US-6610744-B2 Administering to a mammal a retinoid campound which binds specifically or selectively to a RAR alpha retinoid receptors in preference over RAR beta and RAR Gamma retinoid receptors, for therapy and prophylaxisof disease or condition ALLERGAN, INC. 2003-08-26 US disclosed
US-6534544-B1 Administering retinoid compound as anticarcinogenic and antitumor agents; side effect reduction ALLERGAN SALES, INC. 2003-03-18 US disclosed
US-20020077360-A1 Methods of treatment with compounds having RAR alpha receptor specific or selective activity ALLERGAN SALES, INC. 2002-06-20 US disclosed
US-6342602-B1 BIND SPECIFICALLY OR SELECTIVELY TO RAR-ALPHA RECEPTORS ALLERGAN SALES, INC. 2002-01-29 US disclosed
EP-0876330-B1 ARYL OR HETEROARYL AMIDES OF TETRAHYDRONAPHTHALENE, CHROMAN, THIOCHROMAN AND 1,2,3,4-TETRAHYDROQUINOLINE CARBOXYLIC ACIDS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES INC (US) 2001-03-28 EP disclosed
US-6124455-A Aryl or heteroaryl amides of tetrahydronaphthalene, chroman, thiochroman and 1,2,3,4-tetrahydroquinoline carboxylic acids, having an electron withdrawing substituent in the aromatic or heteroaromatic moiety, having retinoid-like biological activity ALLERGAN SALES, INC. (US) 2000-09-26 US disclosed
US-6034244-A ANTIINFLAMMATORY AGENTS; SKIN DISORDERS; ANTICANCER AGENT ALLERGAN SALES, INC. (US) 2000-03-07 US disclosed
US-5965606-A RETINOID RECEPTORS, 2-FLUORO-4-(2',2',4',4'-TETRAMETHYL-8'-TRIFLUOROMETHYLCHROMAN-6' -YL)CARBAMOYL BENZOIC ACID FOR TREATING MONOCYTIC LEUKEMIA ALLERGAN SALES, INC. (US) 1999-10-12 US disclosed
US-5856490-A Aryl or heteroaryl amides of tetrahydronaphthalene, chroman, thiochroman and 1,2,3,4-tetrahydroquinoline carboxylic acids, having an electron withdrawing substituent in the aromatic or heteroaromatic moiety, having retinoid-like biological activity ALLERGAN (US) 1999-01-05 US disclosed
US-5675024-A RETINOID RECEPTOR AGONISTS ALLERGAN (US) 1997-10-07 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-20020077360-A1 Methods of treatment with compounds having RAR alpha receptor specific or selective activity RARG, RARA, RARB RARA 2/4885RARB 3/4885RARG 1/4885

“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.