SCHEMBL19804283

SCHEMBL19804283

C=C(C)C(=O)OCCc1cc(-c2ccc(CO)cc2)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.47
MTNR1B P49286 10/20 0.47
NPC1 O15118 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
ERN1 O75460 1/20 0.34
THRB P10828 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
PTGER4 P35408 1/20 0.32
PTPN1 P18031 1/20 0.32
TACR3 P29371 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
SCHEMBL19796471 0.83 MTNR1A (0.47) MTNR1AMTNR1BERN1THRB
SCHEMBL19804198 0.83 MTNR1A (0.39) MTNR1AMTNR1BBAZ2BBAZ2ATHRB
SCHEMBL19801688 0.82 EGFR (0.38) MTNR1AMTNR1BBAZ2BBAZ2APTGER4
SCHEMBL19804617 0.82 EGFR (0.38) MTNR1AMTNR1BBAZ2BBAZ2APTGER4
SCHEMBL19624474 0.81 MTNR1A (0.40) MTNR1AMTNR1BBAZ2BBAZ2AERN1
SCHEMBL19804635 0.80 MTNR1A (0.44) MTNR1AMTNR1BERN1
SCHEMBL19804025 0.80 THRB (0.40) MTNR1AMTNR1BBAZ2BBAZ2AERN1
SCHEMBL19804031 0.79 THRB (0.38) THRBPTGER4
SCHEMBL19796458 0.78 THRB (0.38) MTNR1AMTNR1BTHRBPTGER4
SCHEMBL19804311 0.78 FFAR1 (0.36) MTNR1AMTNR1BBAZ2BBAZ2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, C1S, AP3D1 MTNR1A 4362/4885MTNR1B 4638/4885NPC1 1287/4885

“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.