SCHEMBL18364604

SCHEMBL18364604

CCCc1ccc(OCC)c(F)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 3/20 0.33
KDM1A O60341 2/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
HMGCR P04035 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 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
SCHEMBL18364527 0.88 TYR (0.41) ALDH1A1MAPTNPSR1L3MBTL1TDP1
SCHEMBL19240522 0.87 CTSL (0.47) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL18364536 0.82 ALDH1A1 (0.33) GABRA1GABRB2ALDH1A1MAPTNPSR1
SCHEMBL12579513 0.81 CTSS (0.56) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL18364549 0.78 CTSL (0.37) CTSLCTSSCTSKMAPTTDP1
SCHEMBL17527769 0.78 L3MBTL1 (0.48) ALDH1A1MAPTNPSR1L3MBTL1CYP1A2
SCHEMBL12621447 0.77 CTSL (0.40) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL13125478 0.77 L3MBTL1 (0.43) ALDH1A1MAPTNPSR1L3MBTL1CYP1A2
SCHEMBL18364523 0.77 L3MBTL1 (0.39) ALDH1A1MAPTNPSR1L3MBTL1CYP1A2
SCHEMBL18364558 0.77 TYR (0.44) ALDH1A1MAPTNPSR1TDP1KDM4E

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-9783736-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-10-10 US disclosed
US-20170009137-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2017-01-12 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-20170009137-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, BRAF, LEF1 CTSL 1976/4885CTSS 2615/4885CTSK 2065/4885

“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.