SCHEMBL17356563

SCHEMBL17356563

CCCc1ccc(-c2ccc(F)c(F)c2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ALOX5 P09917 2/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
USP7 Q93009 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
GCGR P47871 1/20 0.33
CHKA P35790 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL17487943 0.89 ALOX5 (0.39) CTSLCTSSCTSKALOX5AKR1C3
SCHEMBL20010719 0.87 CTSL (0.40) CTSLCTSSCTSKALOX5AKR1C3
SCHEMBL17487587 0.86 ALOX5 (0.38) CTSLCTSSCTSKALOX5CHKA
SCHEMBL17356562 0.86 AKR1C3 (0.40) AKR1C3AKR1C2USP7HDAC1HDAC2
SCHEMBL17356554 0.86 CTSL (0.43) CTSLCTSSCTSKALOX5CHKA
SCHEMBL6894489 0.86 ALOX5 (0.47) CTSLCTSSCTSKALOX5CYP17A1
SCHEMBL16377227 0.84 RARB (0.44) CTSLCTSSCTSKALOX5CHKA
SCHEMBL10091133 0.84 CTSL (0.47) CTSLCTSSCTSKALOX5HDAC1
SCHEMBL16852366 0.83 GABRA1 (0.45) CTSLCTSSCTSKALOX5NPC1
SCHEMBL16377210 0.83 RARB (0.40) CTSLCTSSCTSKALOX5GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526308-B1 LIQUID-CRYSTALLINE MEDIUM, LIQUID CRYSTAL COMPOUND AND LIQUID-CRYSTAL DISPLAY DEVICE COMPRISING THE SAME MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
US-10883047-B2 Liquid-crystalline medium and liquid-crystal display comprising the same MERCK PATENT GMBH (DE) 2021-01-05 US disclosed
WO-2018073151-A1 LIQUID-CRYSTALLINE MEDIUM, LIQUID CRYSTAL COMPOUND AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2018-04-26 WO disclosed
US-20180086980-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2018-03-29 US disclosed
EP-3299438-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2018-03-28 EP disclosed
US-9527870-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-27 US disclosed
US-9527870-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-27 US disclosed
US-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-24 US disclosed
US-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-24 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-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX3, OCIAD1, PIEZO1 CTSL 2298/4885CTSS 2478/4885CTSK 2406/4885

“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.