SCHEMBL7569488

SCHEMBL7569488

CC1(C)CCNc2ccc(-c3ccccc3CO)cc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.45
RARB P10826 5/20 0.43
RARG P13631 5/20 0.43
RARA P10276 3/20 0.43
RXRA P19793 1/20 0.42
HSPA9 P38646 4/20 0.39
CHEK1 O14757 1/20 0.37
HSD17B3 P37058 1/20 0.36
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
PGR P06401 5/20 0.34
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL7565094 0.81 RARB (0.62) PDK2RARBRARGRARARXRA
SCHEMBL9098633 0.80 RARB (0.41) RARBRARGRARARXRAHSPA9
SCHEMBL7565236 0.74 CD274 (0.51) PDK2RARBRARGRARARXRA
SCHEMBL7564650 0.74 PDK2 (0.45) PDK2RARBRARGRARARXRA
SCHEMBL7557572 0.70 PGR (0.55) PGR
SCHEMBL8557384 0.70 RARB (0.55) PDK2RARBRARGRARARXRA
SCHEMBL397152 0.69 KDM1A (0.53) PDK2RARBRARGRARAHSPA9
SCHEMBL30993810 0.69 KDM1A (0.53) PDK2RARBRARGRARAHSPA9
SCHEMBL9190385 0.68 RARA (0.50) PDK2RARBRARGRARARXRA
SCHEMBL3714772 0.68 RARB (0.50) RARBRARGRARAHSPA9

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 12 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
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-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

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 PDK2 2153/4885RARB 13/4885RARG 30/4885

“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.