SCHEMBL7150221

SCHEMBL7150221

Cc1cccc2c1OC(C)(C)CC2(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.45
CYP26B1 Q9NR63 2/20 0.45
ALDH1A1 P00352 3/20 0.33
HTR2C P28335 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL8729047 0.80 CYP26A1 (0.35) CYP26A1CYP26B1
SCHEMBL7190672 0.76 CYP26A1 (0.33) CYP26A1CYP26B1
SCHEMBL8733963 0.74 TDP1 (0.41) CYP26A1CYP26B1ALDH1A1LMNASMN1; SMN2
SCHEMBL7740691 0.72 MEN1 (0.47) LMNASMN1; SMN2
SCHEMBL7156039 0.71 CYP26A1 (0.49) CYP26A1CYP26B1
SCHEMBL8561686 0.71 AKR1B1 (0.35) CYP26A1CYP26B1ALDH1A1
SCHEMBL13805575 0.71 HPGD (0.35) ALDH1A1HTR2CKDM4EHPGDLMNA
SCHEMBL15397113 0.70 HNF4A (0.35) ALDH1A1HTR2CKDM4EHPGDBRD4
SCHEMBL435089 0.69 LMNA (0.49) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL23449322 0.68 CD44 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10874634-B2 Compounds and methods for inhibiting CYP26 enzymes QUEEN'S UNIVERSITY AT KINGSTON (CA) 2020-12-29 US disclosed
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
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 disclosed
EP-0869782-A2 METHODS OF TREATMENT WITH COMPOUNDS HAVING RAR $g(a)? RECEPTOR SPECIFIC OR SELECTIVE ACTIVITY Vision Pharmaceuticals L.P. (US) 1998-10-14 EP disclosed
US-5675024-A RETINOID RECEPTOR AGONISTS ALLERGAN (US) 1997-10-07 US disclosed
WO-1997024116-A2 METHODS OF TREATMENT WITH COMPOUNDS HAVING RARα RECEPTOR SPECIFIC OR SELECTIVE ACTIVITY VISION PHARMACEUTICALS L.P. (US) 1997-07-10 WO disclosed
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 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-20020077360-A1 Methods of treatment with compounds having RAR alpha receptor specific or selective activity RARG, RARA, RARB CYP26A1 269/4885CYP26B1 305/4885ALDH1A1 391/4885
US-10874634-B2 Compounds and methods for inhibiting CYP26 enzymes CYP26B1, CYP2A6, CYP26A1 CYP26A1 3/4885CYP26B1 1/4885ALDH1A1 110/4885

“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.