SCHEMBL5419932

SCHEMBL5419932

CCC1(CC)CC=C(c2ccc(C)s2)c2cc(C=O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
ERN1 O75460 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MPI P34949 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNJ1 P48048 1/20 0.31
RXRA P19793 1/20 0.31
NR2E1 Q9Y466 1/20 0.31

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
SCHEMBL5330571 0.84 RARB (0.50) RARARARBRARGERN1KCNJ1
SCHEMBL5331991 0.65 RARB (0.50) RARARARBRARGMEN1KMT2A
SCHEMBL21793428 0.63 EGFR (0.43) ERN1ALDH1A1
SCHEMBL5329024 0.63 RARB (0.55) RARARARBRARGRXRANR2E1
SCHEMBL7773469 0.62 RARB (0.63) RARARARBRARGRXRANR2E1
SCHEMBL8771704 0.61 RARA (0.70) RARARARBRARGRXRANR2E1
SCHEMBL10200927 0.61 CYP2A6 (0.46) ERN1ALDH1A1
SCHEMBL2972320 0.58 NPC1 (0.37) RARARARBRARGMEN1ALDH1A1
SCHEMBL16511765 0.58 ALDH1A1 (0.41) ERN1MEN1ALDH1A1MPIKMT2A
SCHEMBL25366979 0.57 ESR2 (0.42) MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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 RARA 8/4885RARB 7/4885RARG 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.