SCHEMBL21662016

SCHEMBL21662016

Cc1c(C)c(C)c(-c2cc(-c3ccccc3Cl)cc(-c3cc4c(cc3Br)C(C)(C)CCC4(C)C)c2)c(Br)c1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
RXRA P19793 2/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
PGR P06401 3/20 0.31
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL21662224 0.84 HSD11B1 (0.38) HSD11B1RXRARARBRARGPGR
SCHEMBL21662029 0.81 RXRA (0.31) RXRA
SCHEMBL21662223 0.80 HSD11B1 (0.47) HSD11B1TNKS2
SCHEMBL24809304 0.79 RXRA (0.38) HSD11B1RXRARARBRARGPGR
SCHEMBL18015371 0.76 MAPK1 (0.41) RXRARARBRARG
SCHEMBL19794368 0.76 MAPK1 (0.41) RXRARARBRARG
SCHEMBL27328115 0.71 RARB (0.47) RXRARARBRARG
SCHEMBL24809860 0.70 HSD11B1 (0.36) HSD11B1PGR
SCHEMBL21662169 0.70 HSD11B1 (0.38) HSD11B1PGR
SCHEMBL21662017 0.69 ALDH1A1 (0.42) HSD11B1TNKS2

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
EP-3601257-B1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-10-27 EP disclosed
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 HSD11B1 4586/4885RXRA 3429/4885RARB 4013/4885

“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.