SCHEMBL19796992

SCHEMBL19796992

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2CC)ccc1CCO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
FFAR4 Q5NUL3 2/20 0.33
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
DGAT1 O75907 2/20 0.31
P2RY14 Q15391 1/20 0.31
SOAT1 P35610 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL19796583 0.95 TSHR (0.37) TSHRCYP2C9ALDH1A1LMNAMAPT
SCHEMBL19796604 0.93 TSHR (0.34) TSHRFFAR4CYP2C9CNR1CNR2
SCHEMBL19796549 0.92 TSHR (0.33) TSHRFFAR4CYP2C9ALDH1A1LMNA
SCHEMBL19796600 0.92 TSHR (0.37) TSHRCYP2C9ALDH1A1LMNAMAPT
SCHEMBL19796542 0.91 TSHR (0.36) TSHRFFAR4CYP2C9ALDH1A1LMNA
SCHEMBL19796516 0.90 TSHR (0.35) TSHRFFAR4CYP2C9ALDH1A1LMNA
SCHEMBL19796976 0.90 FFAR4 (0.33) TSHRFFAR4CYP2C9ALDH1A1LMNA
SCHEMBL19797000 0.90 MMP2 (0.33) TSHRFFAR4CNR1CNR2CA1
SCHEMBL19796552 0.90 TSHR (0.33) TSHRFFAR4CYP2C9CNR1CNR2
SCHEMBL19796588 0.90 TSHR (0.32) TSHRFFAR4CYP2C9CNR1CNR2

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 TSHR 4195/4885FFAR4 1715/4885CYP2C9 4202/4885

“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.