SCHEMBL20806064

SCHEMBL20806064

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TARBP2 Q15633 1/20 0.41
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ APP P05067 3/20 0.39
▸ AAK1 Q2M2I8 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ SMPD1 P17405 2/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36

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
SCHEMBL22298999 0.93 NR1H4 (0.38) NR1H4ALDH1A1MAPTKDM4EHPGD
SCHEMBL18418540 0.87 APP (0.37) NR1H4ALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL25070431 0.86 APP (0.43) NR1H4ALDH1A1MAPTKDM4EHPGD
SCHEMBL16885012 0.86 HPGD (0.47) NR1H4ALDH1A1MAPTKDM4EHPGD
SCHEMBL22238937 0.85 CYP2C19 (0.41) NR1H4ALDH1A1MAPTKDM4EHPGD
SCHEMBL20806068 0.85 NR1H4 (0.36) NR1H4ALDH1A1MAPTKDM4EHPGD
SCHEMBL21134083 0.84 HPGD (0.46) NR1H4ALDH1A1MAPTKDM4EHPGD
SCHEMBL20806200 0.84 NR1H4 (0.41) NR1H4ALDH1A1MAPTKDM4EHPGD
SCHEMBL25070536 0.83 AAK1 (0.37) NR1H4ALDH1A1MAPTKDM4EHPGD
SCHEMBL22299739 0.83 MAPT (0.36) ALDH1A1MAPTKDM4ECYP2C9CYP2C19

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
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

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 NR1H4 870/4885ALDH1A1 700/4885MAPT 2689/4885

“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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