SCHEMBL17694315

SCHEMBL17694315

CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(CCCCC)cc5F)s4)c4nsnc34)s2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.40
▸ GPR3 P46089 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ RARA P10276 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ GCGR P47871 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ TLR8 Q9NR97 6/20 0.33
▸ SPHK2 Q9NRA0 1/20 0.33

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
SCHEMBL17694346 0.99 RARB (0.39) RARBGPR3ESR1ESR2HTR2A
SCHEMBL17694316 0.99 RARB (0.42) RARBGPR3ESR1ESR2HTR2A
SCHEMBL17694324 0.99 RARB (0.39) RARBGPR3ESR1ESR2HTR2A
SCHEMBL17694321 0.97 RARB (0.39) RARBGPR3ESR1ESR2HTR2A
SCHEMBL17694323 0.92 RARB (0.40) RARBGPR3HTR2AKDM4ERAB9A
SCHEMBL17694322 0.92 RARB (0.38) RARBGPR3ESR1ESR2HTR2A
SCHEMBL16265270 0.91 S1PR1 (0.39) RARBRAB9AS1PR1
SCHEMBL17694342 0.91 RARB (0.44) RARBGPR3HTR2AKDM4ERAB9A
SCHEMBL26321931 0.91 ESR1 (0.38) ESR1ESR2RAB9A
SCHEMBL18464808 0.90 NPC1 (0.39) RARBESR1ESR2RAB9AGCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
US-20170267929-A1 DEVICE FOR REGULATING THE PASSAGE OF ENERGY MERCK PATENT GMBH (DE) 2017-09-21 — — US disclosed
US-20170029702-A1 LIQUID CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2017-02-02 — — US disclosed
US-20170002203-A1 DYE COMPOUNDS MERCK PATENT GMBH (DE) 2017-01-05 — — US disclosed
US-20160319592-A1 DEVICE FOR REGULATING THE PASSAGE OF LIGHT MERCK PATENT GMBH (DE) 2016-11-03 — — 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

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 172/4885GPR3 2912/4885ESR1 2151/4885

“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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