SCHEMBL7621355

SCHEMBL7621355

CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccccc3)ccc21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.82
RARB P10826 10/20 0.82
RARG P13631 10/20 0.82
CYP26A1 O43174 6/20 0.82
CYP3A4 P08684 3/20 0.82
MEN1 O00255 2/20 0.82
KMT2A Q03164 2/20 0.82
ALDH1A1 P00352 1/20 0.82
CYP1A2 P05177 1/20 0.82
CYP2C9 P11712 1/20 0.82
TSHR P16473 1/20 0.82
MAPK1 P28482 1/20 0.82
CYP2C19 P33261 1/20 0.82
CYP26B1 Q9NR63 3/20 0.72
PGR P06401 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
TBXA2R P21731 1/20 0.68
BLVRB P30043 1/20 0.68
HNF4A P41235 1/20 0.60
RXRA P19793 6/20 0.56

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
SCHEMBL8522186 0.91 RARA (0.68) RARARARBRARGCYP26A1CYP3A4
SCHEMBL10541382 0.91 RARB (0.69) RARARARBRARGCYP26A1CYP3A4
SCHEMBL726740 0.90 RARB (1.00) RARARARBRARGCYP26A1CYP3A4
SCHEMBL29355626 0.90 RARB (1.00) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8776375 0.89 RARA (0.65) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8459704 0.87 RARA (0.80) RARARARBRARGCYP26A1CYP3A4
SCHEMBL9446527 0.87 CYP26A1 (0.80) RARARARBRARGCYP26A1CYP3A4
SCHEMBL1616078 0.86 CYP26A1 (0.78) RARARARBRARGCYP26A1CYP3A4
SCHEMBL9446600 0.86 RARA (0.78) RARARARBRARGCYP26A1CYP3A4
SCHEMBL1616121 0.86 CYP26A1 (0.78) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410358-A1 Aromatic carboxylic acid amides, their preparation and their use as medicines F. HOFFMANN-LA ROCHE AG (CH) 1991-01-30 EP claimed
US-6476017-B2 (DIBENZO(B,E)(1,4)-DIAZEPINE-11-YL)BENZOIC ACID DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2002-11-05 US disclosed
EP-0906907-B1 COMPOUNDS POTENTIATING RETINOID INST MED MOLECULAR DESIGN INC (JP) 2002-03-06 EP disclosed
US-20010039272-A1 Compounds activating pharmacological effect of retinoids KEMPHYS LTD. (JP) 2001-11-08 US disclosed
US-6121256-A 4-(2,3-(2,5-DIMETHYL-2,5-HEXANO)DIBENZO(B,F)(1,4)THIAZEPINE-11 -YL)BENZOIC ACID OR SALT INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2000-09-19 US disclosed
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
US-5929069-A CARBOXYPHENYL-SUBSTITUTED DIBENZO(B,F)(1,4)DIAZEPINE DERIVATIVES; TREATMENT OF VITAMIN A DEFICIENCY DISEASES, SKIN DISORDERS, LEUKEMIA INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 1999-07-27 US disclosed
EP-0906907-A1 COMPOUNDS POTENTIATING RETINOID Institute of Medicinal Molecular Design, Inc. (JP) 1999-04-07 EP disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed
EP-0410358-B1 AROMATIC CARBOXYLIC ACID AMIDES, THEIR PREPARATION AND THEIR USE AS MEDICINES F. HOFFMANN-LA ROCHE AG (CH) 1993-09-29 EP disclosed
US-5216153-A Therapy and prophylaxis for skin, autoimmune and rheumatic diseases HOFFMANN-LA ROCHE INC. (US) 1993-06-01 US disclosed
US-5128470-A Aantiinflammatory, antiallergens HOFFMANN-LA ROCHE INC. (US) 1992-07-07 US disclosed
EP-0410358-A1 Aromatic carboxylic acid amides, their preparation and their use as medicines F. HOFFMANN-LA ROCHE AG (CH) 1991-01-30 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-20010039272-A1 Compounds activating pharmacological effect of retinoids RXRA, RXRG, RXRB RARA 6/4885RARB 5/4885RARG 4/4885

“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.