SCHEMBL7565094

SCHEMBL7565094

CC1(C)CCC(C)(C)c2cc(-c3ccccc3CO)ccc21

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.62
RARG P13631 11/20 0.62
RXRA P19793 4/20 0.62
RARA P10276 13/20 0.61
PDK2 Q15119 1/20 0.51
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
HSD17B3 P37058 1/20 0.40
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38

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
SCHEMBL9190385 0.85 RARA (0.50) RARBRARGRXRARARAPDK2
SCHEMBL8557384 0.85 RARB (0.55) RARBRARGRXRARARAPDK2
SCHEMBL7877006 0.84 RARB (0.64) RARBRARGRXRARARAPDK2
SCHEMBL7794229 0.82 RARB (0.75) RARBRARGRXRARARARXRB
SCHEMBL7569488 0.81 PDK2 (0.45) RARBRARGRXRARARAPDK2
SCHEMBL7565236 0.81 CD274 (0.51) RARBRARGRXRARARAPDK2
SCHEMBL7564650 0.81 PDK2 (0.45) RARBRARGRXRARARAPDK2
SCHEMBL8347608 0.80 RARB (0.65) RARBRARGRXRARARARXRB
SCHEMBL7793710 0.80 RARB (0.62) RARBRARGRXRARARAABCB1
SCHEMBL24794240 0.76 RARG (0.58) RARBRARGRXRARARAPDK2

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-0848696-B1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES INC (US) 2002-08-28 EP disclosed
US-20020082419-A1 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN SALES, INC. 2002-06-27 US disclosed
US-6313163-B1 ADMINISTERING 2,4-PENTADIENOIC ACID DERIVATIVE FOR THERAPY OF DISEASE OR CONDITION RESPONSIVE TO THERAPY BY RETINOIDS ALLERGEN SALES, INC. 2001-11-06 US disclosed
US-6114533-A A COMPOUNDS HAVING A 2,4-PENTADIENOIC ACID OR 2,4-PENTADIENOIC ACID ESTER FUNCTION WHICH IS SUBSTITUTED IN THE 5-POSITION WITH TETRAHYDROQUINOLINYL GROUP ALLERGAN SALES, INC. (US) 2000-09-05 US disclosed
US-6034242-A 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN SALES, INC. (US) 2000-03-07 US disclosed
US-5917082-A 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN SALES, INC. (US) 1999-06-29 US disclosed
EP-0775103-B1 RETINOIC ACID X-RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 1999-06-09 EP disclosed
WO-1999008992-A1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1999-02-25 WO disclosed
US-5817836-A 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN (US) 1998-10-06 US disclosed
US-5801253-A Retinoic acid X-receptor ligands HOFFMANN-LA ROCHE INC. (US) 1998-09-01 US disclosed
US-5780647-A 2,4-Pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN (US) 1998-07-14 US disclosed
EP-0848696-A1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1998-06-24 EP disclosed
US-5675033-A FOR TREATMENT OF SKIN DISORDERS ALLERGAN (US) 1997-10-07 US disclosed
US-5663367-A REGULATOR OF CELL PROLIFERATION AND DIFFERENTIATION; TREATMENT OF SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS ALLERGAN (US) 1997-09-02 US disclosed
EP-0775103-A1 RETINOIC ACID X-RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 1997-05-28 EP disclosed
WO-1996039374-A1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-12-12 WO disclosed
WO-1996005165-A1 RETINOIC ACID X-RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 1996-02-22 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 (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-20020082419-A1 2,4-pentadienoic acid derivatives having retinoid-like biological activity RXRA, RXRB, CBR1 RARB 13/4885RARG 30/4885RXRA 1/4885

“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.