SCHEMBL20370612

SCHEMBL20370612

C=C(C)C(=O)N(C)CCc1ccc2cc(C3CCC(CCCCC)CC3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.39
▸ SPHK1 Q9NYA1 6/20 0.38
▸ CYP2C9 P11712 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C8 P10632 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 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
SCHEMBL19855797 0.90 SPHK1 (0.47) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL20370613 0.88 SPHK1 (0.39) BCHESPHK1THRATHRBITGB3
SCHEMBL19856022 0.87 SPHK1 (0.45) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL19854935 0.85 SPHK1 (0.49) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL19855799 0.84 SPHK1 (0.51) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL19854075 0.83 SPHK1 (0.39) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL20370617 0.83 MAPT (0.38) BCHESPHK1CYP2C9MAPTALDH1A1
SCHEMBL19856017 0.82 SPHK1 (0.46) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL19853898 0.82 SPHK1 (0.46) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL19853907 0.81 SPHK1 (0.48) SPHK1CYP2C9THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662379-B2 Polymerizable polar compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-05-26 — — US disclosed
US-20180195005-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-07-12 — — US disclosed
US-20180195005-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-07-12 — — 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 (2 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-20180195005-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, MBD2, PAXBP1 BCHE 4349/4885SPHK1 906/4885CYP2C9 3761/4885
US-10662379-B2 Polymerizable polar compound, liquid crystal composition and liquid crystal display device SP1, MBD2, PAXBP1 BCHE 4349/4885SPHK1 906/4885CYP2C9 3761/4885

“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.

Send feedback