SCHEMBL7859347

SCHEMBL7859347

C/C(=C/C#N)c1ccc2c(c1)C(Sc1ccccc1)=CCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARA P10276 19/20 0.38
RARB P10826 19/20 0.38
RARG P13631 18/20 0.38
RXRA P19793 2/20 0.38
NR2E1 Q9Y466 1/20 0.38
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32

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
SCHEMBL6292555 1.00 RARA (0.38) RARARARBRARGRXRANR2E1
SCHEMBL6761156 0.86
SCHEMBL6297168 0.83 RARA (0.40) RARARARBRARGRXRANR2E1
SCHEMBL6294125 0.82 HPGD (0.47) RARARARBRARGRXRANR2E1
SCHEMBL6292573 0.80 RARB (0.50) RARARARBRARGRXRANR2E1
SCHEMBL6292700 0.76 RARA (0.44) RARARARBRARGRXRANR2E1
SCHEMBL8563491 0.75 RARA (0.31) RARARARBRARGRXRANR2E1
SCHEMBL8772575 0.74 RARA (0.68) RARARARBRARGRXRANR2E1
SCHEMBL6294021 0.74 RARA (0.69) RARARARBRARGRXRANR2E1
SCHEMBL6294022 0.74 RARA (0.69) RARARARBRARGRXRANR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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

“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.