SCHEMBL21662029

SCHEMBL21662029

Cc1c(C)c(C)c(-c2cc(-c3cc(CC(C)(C)C)ccc3Cl)cc(-c3cc4c(cc3Br)C(C)(C)CCC4(C)C)c2)c(Br)c1C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 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
SCHEMBL23956043 0.91 RXRA (0.30) RXRARXRBRXRG
SCHEMBL21662016 0.81 HSD11B1 (0.33) RXRA
SCHEMBL21662167 0.70
SCHEMBL21662361 0.68 HTR1A (0.33)
SCHEMBL21662224 0.66 HSD11B1 (0.38) RXRA
SCHEMBL24809301 0.63 RXRA (0.40) RXRARXRBRXRG
SCHEMBL23956041 0.63 HTR1A (0.30)
SCHEMBL24809304 0.62 RXRA (0.38) RXRA
SCHEMBL18015371 0.62 MAPK1 (0.41) RXRARXRBRXRG
SCHEMBL19794368 0.62 MAPK1 (0.41) RXRARXRBRXRG

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-20200039903-A1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2020-02-06 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-20200039903-A1 AROMATIC COMPOUNDS PAH, ALG3, DDC RXRA 3429/4885RXRB 3685/4885RXRG 3093/4885

“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.