SCHEMBL5267535

SCHEMBL5267535

C#CC1=C(C)CCCC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.38
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
DRD3 P35462 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
HAO1 Q9UJM8 1/20 0.32
CYP3A4 P08684 2/20 0.30
TSHR P16473 1/20 0.30
TP53 P04637 1/20 0.30
APP P05067 1/20 0.30
ALOX15 P16050 1/20 0.30
SNCA P37840 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NR2E1 Q9Y466 1/20 0.30
RARA P10276 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30

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
SCHEMBL13950640 0.78 KRAS (0.39) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL9836682 0.78 RARB (0.41) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL3638447 0.78
SCHEMBL9580605 0.78 RARB (0.38) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL6368904 0.75 RARB (0.43) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL3346411 0.72 RARB (0.41) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL4495310 0.71 CYP1A2 (0.44) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL9134876 0.70
SCHEMBL11412206 0.70 RARB (0.42) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL5269834 0.67 RARB (0.38) RARBCYP1A2ALDH1A1LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1442014-B1 MANUFACTURE OF RETINOIDS DSM IP ASSETS BV (NL) 2007-03-21 EP disclosed
US-7067703-B2 Manufacture of retinoids DSM IP ASSETS B.V. (NL) 2006-06-27 US disclosed
US-20050014976-A1 Manufacture of retinoids DSM IP ASSETS B.V. (NL) 2005-01-20 US disclosed
EP-1442014-A1 MANUFACTURE OF RETINOIDS DSM IP Assets B.V. (NL) 2004-08-04 EP disclosed
WO-2003037856-A1 MANUFACTURE OF RETINOIDS DSM IP ASSETS B.V. (NL) 2003-05-08 WO disclosed
US-5986131-A UNSATURATED CARBOXYLIC ACID DERIVATIVES AS LIGANDS AND RETINOIC ACID RECEPTORS HOFFMANN-LA ROCHE INC. (US) 1999-11-16 US disclosed
EP-0728742-B1 Novel retinoids HOFFMANN LA ROCHE (CH) 1999-10-20 EP disclosed
EP-0728742-A2 Novel retinoids F. HOFFMANN-LA ROCHE AG (CH) 1996-08-28 EP disclosed
US-5470999-A Cyclohexene and bicyclic aromatic substituted ethyne compounds having retinoid-like biological activity ALLERGAN, INC. (US) 1995-11-28 US disclosed
US-5451605-A Treating skin disorders ALLERGAN, INC. (US) 1995-09-19 US disclosed
EP-0010208-B1 PHARMACEUTICAL COMPOSITION CONTAINING ALL-E- OR 13-Z-7,8-DEHYDRO-RETINOIC ACID AND PROCESS FOR ITS PREPARATION BASF Aktiengesellschaft (DE) 1982-08-11 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-20050014976-A1 Manufacture of retinoids RXRA, ALDH1A2, RXRB RARB 5/4885CYP1A2 516/4885ALDH1A1 52/4885

“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.