SCHEMBL6292964

SCHEMBL6292964

CCOC(=O)C1=CCC(C)(C)c2ccc(C(=O)Oc3ccc(C(=O)OCC)cc3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.54
RARB P10826 7/20 0.54
RARG P13631 4/20 0.51
PRSS1 P07477 1/20 0.45
ACR P10323 1/20 0.45
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
STS P08842 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP1A2 P05177 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAOA P21397 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL6236820 0.84 RARB (0.54) RARARARBRARG
SCHEMBL6423614 0.82 RARA (0.49) RARARARBRARGPRSS1ACR
SCHEMBL8562421 0.81 RARA (0.46) RARARARBRARGESR1CYP1A2
SCHEMBL6420934 0.81 RARA (0.49) RARARARBRARGPRSS1ACR
SCHEMBL6297253 0.81 RARA (0.79) RARARARBRARGPRSS1ACR
SCHEMBL9551782 0.80 RARB (0.71) RARARARBRARGPRSS1ACR
SCHEMBL9551786 0.76 RARB (0.63) RARARARBRARGPRSS1ACR
SCHEMBL9296536 0.76 TSHR (0.44) RARARARBRARGCA12CA1
Methane SCHEMBL6294008 0.75 RARA (0.61) RARARARBRARG
SCHEMBL10344282 0.74 PRSS1 (0.69) RARARARBPRSS1ACRCA12

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 15 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
EP-0915825-B1 SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY ALLERGAN INC (US) 2004-05-06 EP 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-20030187235-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2003-10-02 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-20010000511-A1 O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2001-04-26 US disclosed
US-6187933-B1 BIND TO RETINOID RECEPTORS; TREATING SKIN DISORDERS ALLERGAN SALES, INC. 2001-02-13 US disclosed
US-6117987-A ANIMAL GROWTH REGULATOR; SKIN DISORDERS; ANTIINFLAMMATORY AGENTS ALLERGAN SALES, INC. (US) 2000-09-12 US disclosed
US-5998655-A SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN, INC. 1999-12-07 US disclosed
EP-0915825-A2 SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 1999-05-19 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 (4 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-20030187235-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARA 2/4885RARB 1/4885RARG 5/4885
US-20010000511-A1 O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARA 2/4885RARB 1/4885RARG 5/4885
US-20030078440-A1 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARA 2/4885RARB 1/4885RARG 5/4885
US-20020173631-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARA 2/4885RARB 1/4885RARG 5/4885

“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.