SCHEMBL16265238

SCHEMBL16265238

CCCCC(CC)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(OCC(CC)CCCC)cc5)s4)c4nsnc34)s2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 5/20 0.33
▸ CA2 P00918 1/20 0.33
▸ APP P05067 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ CYP19A1 P11511 2/20 0.30
▸ CYP2C9 P11712 2/20 0.30
▸ CYP2C19 P33261 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ PTPN1 P18031 1/20 0.30

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
SCHEMBL17694318 0.95 CYP3A4 (0.33) CYP3A4CYP2D6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL18418540 0.91 APP (0.37) CYP3A4CYP2D6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL20647308 0.90 SMN1; SMN2 (0.34) CYP3A4CYP2D6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL19119557 0.89 RARA (0.35) CYP3A4CYP2D6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL17696652 0.89 CYP1A2 (0.32) CYP3A4CYP2D6CYP1A2
SCHEMBL24270297 0.88 CYP3A4 (0.36) CYP3A4CYP2D6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL21537515 0.87 APP (0.34) CYP3A4CYP2D6CYP1A2APPTDP1
SCHEMBL16265318 0.87 SMN1; SMN2 (0.31) CYP3A4CYP2D6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL16265314 0.87 CYP3A4 (0.38) CYP3A4CYP2D6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL16265316 0.87 CYP3A4 (0.35) CYP3A4CYP2D6CYP1A2ALDH1A1SMN1; SMN2

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 15 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-11015123-B2 Liquid-crystal material MERCK PATENT GMBH (DE) 2021-05-25 — — US disclosed
US-20200255741-A1 LIQUID-CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2020-08-13 — — US disclosed
US-10723950-B2 Liquid-crystalline mixtures MERCK PATENT GMBH (DE) 2020-07-28 — — 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
US-10344217-B2 Device for controlling the passage of energy, containing a dichroic dye compound MERCK PATENT GMBH (DE) 2019-07-09 — — 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-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-20170029702-A1 LIQUID CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2017-02-02 — — US disclosed
WO-2015154848-A1 LIQUID CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2015-10-15 — — WO 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-10344217-B2 Device for controlling the passage of energy, containing a dichroic dye compound CRY1, SLC25A1, CRY2 CYP3A4 1818/4885CYP2D6 2129/4885CYP1A2 2025/4885

“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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