SCHEMBL16265268

SCHEMBL16265268

CCCCOc1ccc(-c2ccc(-c3ccc(Br)c4nsnc34)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.43
▸ RARA P10276 1/20 0.43
▸ CYP2D6 P10635 8/20 0.41
▸ CYP3A4 P08684 5/20 0.41
▸ CYP1A2 P05177 7/20 0.38
▸ CYP19A1 P11511 7/20 0.38
▸ CYP2C9 P11712 7/20 0.38
▸ CYP2C19 P33261 7/20 0.38
▸ SMPD1 P17405 1/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ S1PR1 P21453 1/20 0.35

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
SCHEMBL16265191 0.93 RARB (0.48) RARBRARACYP2D6CYP3A4CYP1A2
SCHEMBL19636766 0.88 RARA (0.45) RARBRARACYP2D6CYP3A4CYP1A2
SCHEMBL19456752 0.86 RARB (0.43) RARBRARACYP2D6CYP3A4CYP1A2
SCHEMBL16265330 0.86 RARB (0.40) RARBRARACYP2D6CYP3A4CYP1A2
SCHEMBL17696654 0.85 RARA (0.40) RARBRARACYP2D6CYP3A4CYP1A2
SCHEMBL19456624 0.84 CYP11B1 (0.40) CYP3A4CYP2C19POLBMCL1
SCHEMBL16265325 0.84 RARB (0.41) RARBRARACYP2D6CYP3A4CYP1A2
SCHEMBL17694360 0.84 RARB (0.41) RARBRARACYP2D6CYP3A4CYP1A2
SCHEMBL16265233 0.83 ALDH1A1 (0.43) RARBRARACYP2D6CYP3A4CYP1A2
SCHEMBL17186624 0.82 HTR2A (0.44) RARBCYP2D6CYP3A4CYP1A2CYP19A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004251-B1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY, CONTAINING A DICHROIC DYE COMPOUND MERCK PATENT GMBH (DE) 2019-03-13 — — EP disclosed
WO-2017174619-A1 INTERMEDIATES AND PROCEDURES FOR THE SYNTHESIS OF FUNCTIONAL MATERIALS MERCK PATENT GMBH (DE) 2017-10-12 — — WO disclosed
US-20160108317-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY, CONTAINING A DICHROIC DYE COMPOUND MERCK PATENT GMBH (DE) 2016-04-21 — — US disclosed
US-20160108317-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY, CONTAINING A DICHROIC DYE COMPOUND MERCK PATENT GMBH (DE) 2016-04-21 — — US disclosed
WO-2014187529-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY, CONTAINING A DICHROIC DYE COMPOUND MERCK PATENT GMBH (DE) 2014-11-27 — — WO 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-20160108317-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY, CONTAINING A DICHROIC DYE COMPOUND CRY1, SLC25A1, CRY2 RARB 172/4885RARA 175/4885CYP2D6 2129/4885

“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.

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