SCHEMBL6676941

SCHEMBL6676941

CCOC(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL6675739 0.86 SMN1; SMN2 (0.44) TRPA1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL6674068 0.83 POLB (0.46) MAPTSMN1; SMN2LMNAPOLBTDP1
SCHEMBL6674562 0.83 NR1H4 (0.56) TRPA1HDAC3HDAC6TRPV1EPHX2
SCHEMBL6674764 0.80 POLB (0.45) MAPTSMN1; SMN2LMNAPOLBTDP1
SCHEMBL4397164 0.79 HDAC1 (0.58) MAPTSMN1; SMN2LMNAPOLBTDP1
SCHEMBL7158029 0.77 RARA (0.67) MAPTSMN1; SMN2POLBTDP1RAB9A
SCHEMBL11706325 0.76 CA12 (0.45) MAPTLMNAKDM4ENPC1TSHR
SCHEMBL8098335 0.76 HTT (0.47) MAPTSMN1; SMN2LMNAPOLBTDP1
SCHEMBL6693165 0.74 HDAC3 (0.48) TRPA1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL7152373 0.73 RARA (0.53) MAPTSMN1; SMN2LMNAPOLBTDP1

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 17 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-5917048-A Substituted aryl or heteroarylamides having retinoid-like biological activity ALLERGAN SALES INC. (US) 1999-06-29 US claimed
EP-0862555-A1 SUBSTITUTED ARYL OR HETEROARYLAMIDES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1998-09-09 EP 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
US-5663357-A COMPOUNDS FOR TREATMENT OF SKIN DISORDERS ALLERGAN (US) 1997-09-02 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 (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 TRPA1 2521/4885MAPT 4840/4885SMN1; SMN2 2227/4885
US-20020091262-A1 Substituted aryl or heteroarylamides having retinoid-like biological activity CCR8, RXRA, CBR1 TRPA1 3264/4885MAPT 4839/4885SMN1; SMN2 1612/4885

“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.