SCHEMBL16265233

SCHEMBL16265233

CCCCOc1ccc(-c2ccc(-c3ccc(-c4cccs4)c4nsnc34)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 6/20 0.41
▸ CYP2D6 P10635 5/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ RARA P10276 1/20 0.40
▸ RARB P10826 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CYP1A2 P05177 4/20 0.37

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 0.89 RARB (0.48) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL19456617 0.86 GABRA1 (0.42) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL19636766 0.85 RARA (0.45) RAB9AMAPTCYP2D6CYP3A4RARA
SCHEMBL16265325 0.84 RARB (0.41) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL16265268 0.83 RARB (0.43) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL19456752 0.83 RARB (0.43) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL16265330 0.82 RARB (0.40) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL17696654 0.81 RARA (0.40) HPGDRAB9ASMN1; SMN2CYP2D6CYP3A4
SCHEMBL17694360 0.80 RARB (0.41) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL17197486 0.80 ALDH1A1 (0.44) ALDH1A1KDM4ENPC1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711138-B2 Intermediates and procedures for the synthesis of functional materials MERCK PATENT GMBH (DE) 2020-07-14 — — US disclosed
US-10344217-B2 Device for controlling the passage of energy, containing a dichroic dye compound MERCK PATENT GMBH (DE) 2019-07-09 — — US disclosed
US-20190127586-A1 INTERMEDIATES AND PROCEDURES FOR THE SYNTHESIS OF FUNCTIONAL MATERIALS MERCK PATENT GMBH (DE) 2019-05-02 — — US disclosed
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 (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-20160108317-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY, CONTAINING A DICHROIC DYE COMPOUND CRY1, SLC25A1, CRY2 ALDH1A1 700/4885KDM4E 2034/4885NPC1 1165/4885
US-10344217-B2 Device for controlling the passage of energy, containing a dichroic dye compound CRY1, SLC25A1, CRY2 ALDH1A1 700/4885KDM4E 2034/4885NPC1 1165/4885

“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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