SCHEMBL10454697

SCHEMBL10454697

CCC#Cc1ccc2cc3cc(C#CCP)ccc3cc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 3/20 0.35
ASIC3 Q9UHC3 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL10454623 0.96 MELK (0.37) MELKASIC3GABRPGABRDGABRA1
SCHEMBL10454699 0.87 HRH3 (0.36) MELKASIC3GABRPGABRDGABRA1
SCHEMBL10454622 0.87 HRH3 (0.36) MELKASIC3GABRPGABRDGABRA1
SCHEMBL10453403 0.84 MTNR1A (0.36) MELKASIC3GABRPGABRDGABRA1
SCHEMBL10453407 0.82 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10453413 0.80 MTNR1A (0.38) MELKASIC3GABRPGABRDGABRA1
SCHEMBL10453405 0.77 CHRNA7 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10454620 0.77 CHRNA7 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12980152 0.76 MELK (0.36) MELKASIC3GABRPGABRDGABRA1
SCHEMBL8213728 0.75 CYP1A2 (0.47) MELKCYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940184-B2 Polymerizable compounds and their use in liquid-crystal displays MERCK PATENT GMBH (DE) 2015-01-27 US disclosed
US-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-19 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-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS VCL, LPXN, ACP3 MELK 3175/4885ASIC3 738/4885GABRP 2771/4885

“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.