SCHEMBL6673833

SCHEMBL6673833

CC(C)(C)c1cc(NC(=O)c2ccc(C(=O)O)c(F)c2)cc(C(C)(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.53
RARB P10826 2/20 0.53
RARG P13631 2/20 0.53
NR1H4 Q96RI1 2/20 0.48
EPHX2 P34913 1/20 0.48
LMNA P02545 2/20 0.46
KCNQ3 O43525 6/20 0.44
KCNQ2 O43526 6/20 0.44
KCNQ5 Q9NR82 3/20 0.44
KCNE1 P15382 3/20 0.44
KCNQ1 P51787 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SORT1 Q99523 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
CPT2 P23786 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
SCHEMBL6674562 0.84 NR1H4 (0.56) RARARARBRARGNR1H4EPHX2
SCHEMBL6675739 0.83 SMN1; SMN2 (0.44) LMNAKCNQ3KCNQ2KCNQ5KCNE1
SCHEMBL6672974 0.83 RARA (0.47) RARARARBRARGLMNAKCNQ3
SCHEMBL6674449 0.82 MEN1 (0.55) RARARARBRARGNR1H4EPHX2
SCHEMBL6672964 0.81 MEN1 (0.51) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6673361 0.75 MAPT (0.45) LMNAKCNQ3KCNQ2KCNQ5KCNE1
SCHEMBL7620467 0.75 NPC1 (0.56) RARARARBRARGNR1H4EPHX2
SCHEMBL7152370 0.72 RARB (0.91) RARARARBRARGALDH1A1KMT2A
SCHEMBL6676184 0.72 POLB (0.49) LMNANPC1RAB9AALDH1A1KMT2A
SCHEMBL7157718 0.71 RARA (0.69) RARARARBRARGALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862555-B1 SUBSTITUTED ARYL OR HETEROARYLAMIDES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN INC (US) 2004-10-20 EP claimed
US-20020091262-A1 Substituted aryl or heteroarylamides having retinoid-like biological activity ALLERGAN 2002-07-11 US claimed
US-20020077360-A1 Methods of treatment with compounds having RAR alpha receptor specific or selective activity ALLERGAN SALES, INC. 2002-06-20 US claimed
EP-0862555-A1 SUBSTITUTED ARYL OR HETEROARYLAMIDES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1998-09-09 EP claimed
US-5663357-A COMPOUNDS FOR TREATMENT OF SKIN DISORDERS ALLERGAN (US) 1997-09-02 US claimed
WO-1997019062-A1 SUBSTITUTED ARYL OR HETEROARYLAMIDES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1997-05-29 WO claimed
EP-0862555-B1 SUBSTITUTED ARYL OR HETEROARYLAMIDES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN INC (US) 2004-10-20 EP 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-6437129-B1 ARMOATIC OR HETEROARMOATIC COMPOUND CONTAINING SUBSTITUTED AMIDES OR THIOAMIDES ALLERGAN SALES, LLC 2002-08-20 US disclosed
US-20020091262-A1 Substituted aryl or heteroarylamides having retinoid-like biological activity ALLERGAN 2002-07-11 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-6320047-B1 ACYL- OR THIOACYL-AMINOPYRIDINES ALLERGAN SALES, INC. 2001-11-20 US disclosed
US-6245786-B1 ANTIPROLIFERATIVE AGENTS; SKIN DISORDERS ALLERGAN SALES, INC. 2001-06-12 US disclosed
US-6051713-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION, PARTICULARLY AS AGENTS FOR TREATING SKIN RELATED DISEASES, INCLUDING ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-KERATINIZATION SKIN DISORDERS ALLERGAN SALES, INC. (US) 2000-04-18 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-5917048-A Substituted aryl or heteroarylamides having retinoid-like biological activity ALLERGAN SALES INC. (US) 1999-06-29 US disclosed
EP-0862555-A1 SUBSTITUTED ARYL OR HETEROARYLAMIDES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1998-09-09 EP disclosed
WO-1997019062-A1 SUBSTITUTED ARYL OR HETEROARYLAMIDES 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 RARA 2/4885RARB 3/4885RARG 1/4885
US-20020091262-A1 Substituted aryl or heteroarylamides having retinoid-like biological activity CCR8, RXRA, CBR1 RARA 27/4885RARB 37/4885RARG 73/4885

“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.