SCHEMBL19721832

SCHEMBL19721832

C=C(CO)C(=O)OCCCC1CCC(CCCCCCCCCC)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
NAAA Q02083 3/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCR2 P41597 1/20 0.35
EPHX1 P07099 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL19722221 0.97 TSHR (0.44) TSHRNAAAMEN1HTTKMT2A
SCHEMBL19755064 0.94 TSHR (0.42) TSHRNAAAMEN1HTTKMT2A
SCHEMBL19721829 0.94 TSHR (0.42) TSHRNAAAMEN1HTTKMT2A
SCHEMBL19722573 0.93 TSHR (0.41) TSHRNAAAMEN1HTTKMT2A
SCHEMBL19722062 0.89 TSHR (0.39) TSHRNAAAMEN1HTTKMT2A
SCHEMBL19721847 0.89 TSHR (0.38) TSHRNAAAMEN1HTTKMT2A
SCHEMBL19722059 0.85 TSHR (0.36) TSHRNAAAMEN1HTTKMT2A
SCHEMBL19722550 0.85 TSHR (0.40) TSHRNAAAMEN1HTTKMT2A
SCHEMBL19722361 0.85 CYP2C9 (0.42) TSHRNAAAMEN1KMT2ACYP2C9
SCHEMBL19755088 0.85 CYP2C9 (0.42) TSHRNAAAMEN1KMT2ACYP2C9

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
EP-3257839-B1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2019-09-04 EP disclosed
US-10392339-B2 Polymerizable polar compound, liquid crystal composition, and liquid crystal display element JNC CORPORATION (JP) 2019-08-27 US 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 3793/4885NAAA 4846/4885MEN1 90/4885
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SP1, SPIN1, SAV1 TSHR 3425/4885NAAA 4714/4885MEN1 195/4885

“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.