SCHEMBL17835291

SCHEMBL17835291

CCC(CC)COc1ccc(-c2ccc(-c3c(F)c(F)c(-c4ccc(-c5ccc(OCC(CC)CC)cc5)s4)c4nsnc34)s2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ PTPN1 P18031 2/20 0.31
▸ AOC3 Q16853 2/20 0.31
▸ TSHR P16473 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ NR1H4 Q96RI1 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
SCHEMBL16265316 0.91 CYP3A4 (0.35) APPNPC1ALDH1A1MAPTRAB9A
SCHEMBL20806200 0.88 NR1H4 (0.41) APPNPC1ALDH1A1MAPTRAB9A
SCHEMBL22299394 0.88 RAB9A (0.41) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL18418540 0.85 APP (0.37) APPNPC1ALDH1A1MAPTRAB9A
SCHEMBL21537514 0.82 — —
SCHEMBL2572427 0.81 APP (0.48) APPNPC1ALDH1A1MAPTRAB9A
SCHEMBL22298999 0.81 NR1H4 (0.38) APPNPC1ALDH1A1MAPTRAB9A
SCHEMBL22299739 0.81 MAPT (0.36) APPNPC1ALDH1A1MAPTRAB9A
SCHEMBL17835290 0.81 — —
SCHEMBL16265318 0.81 SMN1; SMN2 (0.31) NPC1ALDH1A1MAPTRAB9ASMN1; 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 14 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
WO-2020158038-A1 LIQUID CRYSTAL COMPOSITE AND LIQUID CRYSTAL DIMMER ELEMENT JNC株式会社 2020-08-06 — — WO disclosed
US-10723950-B2 Liquid-crystalline mixtures MERCK PATENT GMBH (DE) 2020-07-28 — — US disclosed
EP-3458549-B1 LIQUID-CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2020-07-22 — — EP disclosed
US-10364356-B2 Device for regulating the passage of energy MERCK PATENT GMBH (DE) 2019-07-30 — — US disclosed
US-10260001-B2 Liquid crystal material MERCK PATENT GMBH (DE) 2019-04-16 — — US disclosed
US-20190016955-A1 LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2019-01-17 — — 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-20170029702-A1 LIQUID CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2017-02-02 — — US disclosed
WO-2016091345-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY MERCK PATENT GMBH (DE) 2016-06-16 — — 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-10364356-B2 Device for regulating the passage of energy MTREX, SLC25A1, TXN2 APP 2208/4885NPC1 1459/4885ALDH1A1 2245/4885

“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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