SCHEMBL5330571

SCHEMBL5330571

Cc1ccc(C2=CCC(C)(C)c3ccc(C=O)cc32)s1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 16/20 0.50
RARA P10276 15/20 0.50
RARG P13631 14/20 0.50
RXRA P19793 1/20 0.44
NR2E1 Q9Y466 1/20 0.44
ERN1 O75460 1/20 0.33
KCNJ1 P48048 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
SCHEMBL5419932 0.84 RARA (0.39) RARBRARARARGRXRANR2E1
SCHEMBL5331991 0.81 RARB (0.50) RARBRARARARGRXRANR2E1
SCHEMBL5329024 0.78 RARB (0.55) RARBRARARARGRXRANR2E1
SCHEMBL27438496 0.77 RARA (0.48) RARBRARARARGRXRANR2E1
SCHEMBL8771704 0.76 RARA (0.70) RARBRARARARGRXRANR2E1
SCHEMBL27486591 0.75 RARB (0.64) RARBRARARARGRXRANR2E1
SCHEMBL8045346 0.74 RARA (0.54) RARBRARARARGRXRANR2E1
SCHEMBL8045347 0.74 RARA (0.54) RARBRARARARGRXRANR2E1
SCHEMBL8045349 0.74 RARA (0.54) RARBRARARARGRXRANR2E1
SCHEMBL7773469 0.73 RARB (0.63) RARBRARARARGRXRANR2E1

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-20070265449-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. 2007-11-15 US disclosed
US-7166726-B2 Aryl substituted 3,4-dihydroanthracene derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. (US) 2007-01-23 US disclosed
US-20030130515-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. 2003-07-10 US disclosed
US-6538149-B1 Skin disorders; anticarcinogenic and antiproliferative agents ALLERGAN 2003-03-25 US disclosed
CN-1102573-C Aryl-or heteroaryl-substituted 3, 4-dihydroanthracenes and aryl-or heteroaryl-substituted benzo [1, 2-g ] -chromen-3-enes, benzo [1, 2-g ] -chromen-3-enes and benzo [1, 2-g ] -1, 2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN SALE CO (US) 2003-03-05 CN disclosed
EP-0948478-B1 ARYL OR HETEROARYL SUBSTITUTED 3,4-DIHYDROANTHRACENE AND ARYL OR HETEROARYL SUBSTITUTED BENZO[1,2-g]-CHROM-3-ENE, BENZO[1,2-g]-THIOCHROM-3-ENE AND BENZO[1,2-g]-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING RETINOID ANTAGONIST OR RETINOID INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY ALLERGAN SALES INC (US) 2002-04-10 EP disclosed
US-6087505-A Benzo[1,2-G]-chrom-3-ene, and benzo[1,2-G]-thiochrom-3-ene derivatives ALLERGAN SALES, INC. (US) 2000-07-11 US disclosed
CN-1239941-A Aryl or heteroaryl substd. 3, 4-dihydroanthracene and benzo [1,2-g]-chrom-3-ene, benzo [1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivs. ALLERGAN SALE CO (US) 1999-12-29 CN disclosed
US-5728846-A RETENOIDS, RETINOID ACTIVITY; AGONISTS, ANTAGONISTS ALLERGAN (US) 1998-03-17 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-20070265449-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity RXRG, RARG, NR2E3 RARB 6/4885RARA 7/4885RARG 2/4885
US-20030130515-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity RXRG, NR2E3, RARG RARB 7/4885RARA 8/4885RARG 3/4885

“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.