SCHEMBL19253584

SCHEMBL19253584

CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(CCCC)cc5)c(Cl)c4)cc3F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.56
RARA P10276 2/20 0.53
RARG P13631 1/20 0.53
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
S1PR1 P21453 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HSD11B1 P28845 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR2A P28223 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
MPL P40238 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
SCHEMBL19253582 0.97 RARB (0.56) RARBRARARARGAKR1C2AKR1C1
SCHEMBL19270952 0.94 RARB (0.53) RARBRARARARGAKR1C2AKR1C1
SCHEMBL19253583 0.92 RARB (0.54) RARBRARARARGAKR1C2AKR1C1
SCHEMBL14175164 0.92 RARB (0.64) RARBRARARARGHRH3TSHR
SCHEMBL14175166 0.92 RARB (0.64) RARBRARARARGHRH3TSHR
SCHEMBL14175167 0.90 RARB (0.66) RARBRARARARGHRH3TSHR
SCHEMBL13310852 0.89 RARB (0.68) RARBRARARARGHRH3TSHR
SCHEMBL9563730 0.89 RARB (0.68) RARBRARARARGHRH3TSHR
SCHEMBL14175170 0.89 RARB (0.59) RARBRARARARGS1PR1TSHR
SCHEMBL10693472 0.87 RARB (0.63) RARBRARARARGHRH3TSHR

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-10240088-B2 Substituted polyphenyls MERCK PATENT GMBH (DE) 2019-03-26 US disclosed
US-20170240812-A1 SUBSTITUTED POLYPHENYLS MERCK PATENT GMBH (DE) 2017-08-24 US disclosed
US-20170240812-A1 SUBSTITUTED POLYPHENYLS MERCK PATENT GMBH (DE) 2017-08-24 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 (2 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-20170240812-A1 SUBSTITUTED POLYPHENYLS PDS5A, XPA, F2 RARB 3043/4885RARA 2927/4885RARG 3410/4885
US-10240088-B2 Substituted polyphenyls PDS5A, XPA, PDS5B RARB 3046/4885RARA 2896/4885RARG 3424/4885

“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.