SCHEMBL7564654

SCHEMBL7564654

CSC1(SC)CCOc2ccc(-c3ccccc3CO)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 7/20 0.48
PDCD1 Q15116 6/20 0.48
PDK2 Q15119 1/20 0.43
BACE1 P56817 6/20 0.37
APP P05067 5/20 0.37
RARB P10826 3/20 0.34
RARG P13631 3/20 0.34
RARA P10276 2/20 0.34
HSD17B3 P37058 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 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
SCHEMBL7565236 0.84 CD274 (0.51) CD274PDCD1PDK2BACE1APP
SCHEMBL6342500 0.72 PDCD1 (0.39) CD274PDCD1GAA
SCHEMBL3177133 0.71 ITGB2 (0.41) LMNAGAAHTT
SCHEMBL7565094 0.70 RARB (0.62) CD274PDCD1PDK2RARBRARG
SCHEMBL9054289 0.69 MAPT (0.41) BACE1APPALDH1A1GAAMAPK1
SCHEMBL4373634 0.69 LMNA (0.42) BACE1LMNAHTT
Hydrochloric Acid SCHEMBL21750681 0.68 MAPT (0.44) BACE1APPALDH1A1GAAMAPK1
SCHEMBL8101913 0.68 RARB (0.53) RARBRARGRARAALDH1A1MAPK1
SCHEMBL4421853 0.68 KDM4E (0.50) RARBRARGRARANPC1RAB9A
SCHEMBL6146444 0.68 CYP26A1 (0.50) RARBRARGRARAALDH1A1LMNA

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-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
WO-1996039374-A1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-12-12 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 CD274 1263/4885PDCD1 2660/4885PDK2 2153/4885

“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.