SCHEMBL19722210

SCHEMBL19722210

CCCCCC1CCC(C2CCC(CCC=O)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CYP1A2 P05177 3/20 0.41
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
POLB P06746 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
SCHEMBL9159434 0.94 TSHR (0.48) TSHRCYP1A2FAAHTRPV1PKM
SCHEMBL9159426 0.94 TSHR (0.48) TSHRCYP1A2FAAHTRPV1PKM
SCHEMBL7901823 0.93 TSHR (0.37) TSHRCYP1A2FAAHTRPV1PKM
SCHEMBL7901831 0.93 TSHR (0.37) TSHRCYP1A2FAAHTRPV1PKM
SCHEMBL7506935 0.93 TSHR (0.48) TSHRCYP1A2FAAHTRPV1PKM
SCHEMBL1898751 0.88 CYP1A2 (0.52) TSHRCYP1A2FAAHTRPV1PKM
SCHEMBL10843803 0.88 CYP1A2 (0.52) TSHRCYP1A2FAAHTRPV1PKM
SCHEMBL4333440 0.86 ALDH1A1 (0.39) TSHRCYP1A2FAAHTRPV1CYP2C9
SCHEMBL2914226 0.86 ALDH1A1 (0.39) TSHRCYP1A2FAAHTRPV1CYP2C9
SCHEMBL4333449 0.86 ALDH1A1 (0.39) TSHRCYP1A2FAAHTRPV1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214615-A1 LIQUID CRYSTAL DISPLAY DEVICE AND DISPLAY UNIT JNC CORPORATION (JP) 2021-07-15 US disclosed
US-10392339-B2 Polymerizable polar compound, liquid crystal composition, and liquid crystal display element JNC CORPORATION (JP) 2019-08-27 US disclosed
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 WO disclosed
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2017-12-28 US disclosed
EP-3257839-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-12-20 EP 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-10392339-B2 Polymerizable polar compound, liquid crystal composition, and liquid crystal display element SP1, HVCN1, CXCR1 TSHR 3793/4885CYP1A2 2616/4885FAAH 3729/4885
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SP1, SPIN1, SAV1 TSHR 3425/4885CYP1A2 2816/4885FAAH 3821/4885

“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.