SCHEMBL17696654

SCHEMBL17696654

CCCCOc1ccc2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7cc(OCCCC)ccc7c6)cc5F)c5nsnc45)c(F)c3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 1/20 0.40
▸ RARB P10826 1/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ S1PR1 P21453 2/20 0.38
▸ S1PR3 Q99500 2/20 0.38
▸ CYP19A1 P11511 4/20 0.38
▸ CYP1A2 P05177 4/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ LMNA P02545 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
SCHEMBL16265191 0.91 RARB (0.48) RARARARBCYP19A1CYP1A2CYP2C9
SCHEMBL17694329 0.91 RARA (0.35) RARARARBMCL1CA12CA1
SCHEMBL19636766 0.87 RARA (0.45) RARARARBCYP19A1CYP1A2CYP2C9
SCHEMBL19456752 0.85 RARB (0.43) RARARARBS1PR1CYP19A1CYP1A2
SCHEMBL16265268 0.85 RARB (0.43) RARARARBMCL1CA12CA1
SCHEMBL16265325 0.84 RARB (0.41) RARARARBMCL1S1PR1S1PR3
SCHEMBL17694325 0.84 PTPN11 (0.45) RARBCA12CA1CA2CA3
SCHEMBL25070289 0.83 HSD17B1 (0.47) CYP19A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL17694360 0.82 RARB (0.41) RARARARBMCL1S1PR1S1PR3
SCHEMBL17694332 0.82 RARB (0.43) RARARARBRAB9A

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 10 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
EP-3400271-B1 LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2020-07-22 — — EP disclosed
EP-3458549-B1 LIQUID-CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2020-07-22 — — EP disclosed
EP-3400270-B1 DEVICE FOR REGULATING ENTRY OF LIGHT MERCK PATENT GMBH (DE) 2020-04-29 — — EP disclosed
EP-3129829-B1 LIQUID CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2019-10-30 — — EP 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
WO-2017198637-A1 LIQUID-CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2017-11-23 — — WO disclosed
WO-2017118464-A1 LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2017-07-13 — — WO disclosed
US-20170029702-A1 LIQUID CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2017-02-02 — — 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 (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 RARA 175/4885RARB 172/4885MCL1 3846/4885
US-10344217-B2 Device for controlling the passage of energy, containing a dichroic dye compound CRY1, SLC25A1, CRY2 RARA 175/4885RARB 172/4885MCL1 3846/4885

“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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