SCHEMBL20848217

SCHEMBL20848217

CC1(C)CC=C(c2ccccc2)c2cc(C#CS(C)(C)C)ccc21

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARA P10276 19/20 0.66
RARB P10826 19/20 0.66
RARG P13631 18/20 0.66
RXRA P19793 1/20 0.49
NR2E1 Q9Y466 1/20 0.49

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
SCHEMBL20636874 0.82 RARB (0.66) RARARARBRARGRXRANR2E1
SCHEMBL20636833 0.82 RARB (0.65) RARARARBRARGRXRANR2E1
SCHEMBL6210444 0.80 RARA (1.00) RARARARBRARGRXRANR2E1
SCHEMBL6261635 0.78 RARB (0.57) RARARARBRARGRXRANR2E1
SCHEMBL8771774 0.77 RARB (0.60) RARARARBRARGRXRANR2E1
SCHEMBL19342912 0.76 RARA (0.73) RARARARBRARGRXRANR2E1
SCHEMBL8771694 0.74 RARB (0.56) RARARARBRARGRXRANR2E1
SCHEMBL19342910 0.74 RARB (0.66) RARARARBRARGRXRANR2E1
SCHEMBL6240831 0.74 RARA (0.76) RARARARBRARGRXRANR2E1
SCHEMBL6232868 0.73 RARB (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216407-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-09 US disclosed
US-10556879-B2 Retinoid compound, preparation method therefor, intermediates thereof and application thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADMENY OF SCIENCES (CN) 2020-02-11 US disclosed
US-20190092744-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2019-03-28 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 (3 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-20190092744-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 3/4885
US-10556879-B2 Retinoid compound, preparation method therefor, intermediates thereof and application thereof RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 3/4885
US-20200216407-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 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.