SCHEMBL6298085

SCHEMBL6298085

CCCOC(=O)C1(O)CCC(C)(C)c2ccc(C=Cc3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.65
RARG P13631 11/20 0.65
RARA P10276 9/20 0.65
RXRA P19793 11/20 0.50
CYP26A1 O43174 4/20 0.47
CYP3A4 P08684 3/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47

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
Methane SCHEMBL6292611 0.91 RARB (0.67) RARBRARGRARARXRACYP26A1
SCHEMBL8560451 0.83 RARB (0.43) RARBRARGRARARXRACYP26A1
SCHEMBL6292610 0.83 RARB (0.68) RARBRARGRARARXRACYP26A1
SCHEMBL1615597 0.80 RARB (1.00) RARBRARGRARARXRACYP26A1
SCHEMBL1616018 0.80 RARB (1.00) RARBRARGRARARXRACYP26A1
SCHEMBL1615595 0.80 RARB (1.00) RARBRARGRARARXRACYP26A1
SCHEMBL6293872 0.78 RARB (0.67) RARBRARGRARARXRACYP26A1
SCHEMBL6293871 0.78 RARB (0.67) RARBRARGRARARXRACYP26A1
SCHEMBL8645235 0.77 RARB (0.50) RARBRARGRARARXRACYP26A1
SCHEMBL8026153 0.75 RARB (0.78) RARBRARGRARARXRACYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855832-B2 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. (US) 2005-02-15 US disclosed
US-6720425-B2 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2004-04-13 US disclosed
US-6653483-B1 Skin, neurodegenerative and cardiovascular disorders; anticarcinogenic, antiinflammatory, and antiproliferative agents ALLERGAN, INC. 2003-11-25 US disclosed
US-6555690-B2 4-((5,5-dimethyl-5,6,7,8-tetrahydro-8-hydroxynaphthalen-2 -yl)carbonyloxy)benzoic acid, benzyl ester for example; receptor subtype selectivity for side effect reduction ALLERGAN, INC. 2003-04-29 US disclosed
US-20030078440-A1 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2003-04-24 US disclosed
US-20020173631-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2002-11-21 US disclosed
US-6465663-B2 ETHYL (E)-4-(2-(5,6-DIHYDRO-5,5-DIMETHYL-NAPHTHALEN-8(7H)-ONE-2 -YL)ETHENYL)BENZOATE AND ETHYL (E)-4-(2-(5,6-DIHYDRO-5,5-DIMETHYL-8-(PHENYLTHIO)-NAPHTHALENYL)ETHENYL) BENZOATE ALLERGAN, INC. 2002-10-15 US disclosed
US-6344561-B2 TREATMENT OF SKIN DISORDERS, INFLAMMATION, NERVE SYSTEM DISORDERS, CANCER ALLERGAN SALES, INC. 2002-02-05 US disclosed
US-6117987-A ANIMAL GROWTH REGULATOR; SKIN DISORDERS; ANTIINFLAMMATORY AGENTS ALLERGAN SALES, INC. (US) 2000-09-12 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 (2 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-20030078440-A1 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARB 1/4885RARG 5/4885RARA 2/4885
US-20020173631-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARB 1/4885RARG 5/4885RARA 2/4885

“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.