SCHEMBL20163299

SCHEMBL20163299

COC[C@@]1(C)CCOc2ccc(/C=C/c3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.53
RARG P13631 13/20 0.53
RARA P10276 12/20 0.53
STAT3 P40763 1/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
RXRA P19793 4/20 0.42
HNF4A P41235 1/20 0.42
NR2E1 Q9Y466 1/20 0.40
MAPT P10636 1/20 0.40
SSTR5 P35346 1/20 0.39
CYP26A1 O43174 1/20 0.38
CYP26B1 Q9NR63 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
SCHEMBL7146567 1.00 RARB (0.53) RARBRARGRARASTAT3RAB9A
SCHEMBL7137570 1.00 RARB (0.53) RARBRARGRARASTAT3RAB9A
SCHEMBL7140836 0.86 RARA (0.50) RARBRARGRARASTAT3RAB9A
SCHEMBL7140832 0.86 RARA (0.50) RARBRARGRARASTAT3RAB9A
SCHEMBL7699618 0.85 GRIK1 (0.42) RARBRARGRARARAB9ANPC1
SCHEMBL7699617 0.85 GRIK1 (0.42) RARBRARGRARARAB9ANPC1
SCHEMBL10935850 0.83 RARB (0.72) RARBRARGRARASTAT3RAB9A
SCHEMBL10935843 0.83 RARB (0.72) RARBRARGRARASTAT3RAB9A
SCHEMBL7139314 0.83 RARB (0.52) RARBRARGRARARXRAHNF4A
SCHEMBL7139553 0.75 RARA (0.47) RARBRARGRARASTAT3RAB9A

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-20180140637-A1 EPIDERMAL NEURAL CREST STEM CELLS AS A SOURCE OF SCHWANN CELLS SIEBER BLUM MAYA (US) 2018-05-24 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-20180140637-A1 EPIDERMAL NEURAL CREST STEM CELLS AS A SOURCE OF SCHWANN CELLS NES, NCSTN, SOX18 RARB 190/4885RARG 215/4885RARA 519/4885

“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.