SCHEMBL7155146

SCHEMBL7155146

CCOC(=O)c1c(F)c(F)c(N)c(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HPGD P15428 5/20 0.55
MAPT P10636 4/20 0.55
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
FHIT P49789 1/20 0.50
HSD17B10 Q99714 4/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 2/20 0.47
ESR1 P03372 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MTOR P42345 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 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
SCHEMBL522227 0.89 ESR1 (0.55) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL196046 0.87 ESR1 (0.53) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL522219 0.85 ESR1 (0.52) ALDH1A1HPGDMAPTGAASMN1; SMN2
Alcohol SCHEMBL28160506 0.83 SMN1; SMN2 (0.50) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL6578769 0.83 SMN1; SMN2 (0.53) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL2458847 0.82 ESR1 (0.49) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL2454093 0.82 ESR1 (0.68) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL522265 0.82 ALDH1A1 (0.49) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL9785436 0.80 ESR1 (0.47) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL2457587 0.80 ESR1 (0.47) ALDH1A1HPGDMAPTGAASMN1; SMN2

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
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
US-4333940-A Ring-fluorinated 4-(monosubstituted-amino) phenyl compounds in inhibiting atherosclerotic lesion development AMERICAN CYANAMID COMPANY (US) 1982-06-08 US disclosed
US-4243609-A ANTILIPEMIC AGENTS, ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-01-06 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 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 (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 ALDH1A1 391/4885HPGD 1044/4885MAPT 4840/4885

“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.