SCHEMBL2604645

SCHEMBL2604645

C=C(C)C(=O)Oc1cccc(-c2ccc3c(F)c(OC(=O)C(=C)C)ccc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B2 P37059 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 2/20 0.39
PPARD Q03181 5/20 0.37
PPARA Q07869 3/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ELANE P08246 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ERN1 O75460 1/20 0.34
FFAR1 O14842 2/20 0.34

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
SCHEMBL2604648 0.87 ESR1 (0.35) HSD17B1CYP1A2CYP2C19HSD17B2CYP3A4
SCHEMBL17750812 0.86 ELANE (0.42) MAPTELANEESR1ESR2LMNA
SCHEMBL2123474 0.83 ELANE (0.48) HSD17B1CYP1A2CYP2C19HSD17B2MAPT
SCHEMBL2604636 0.83 CYP1A2 (0.44) HSD17B1CYP1A2CYP2C19HSD17B2CYP3A4
SCHEMBL2604619 0.82 MAPT (0.46) CYP1A2CYP2C19MAPTPPARDPPARA
SCHEMBL18194831 0.81 ELANE (0.40) MAPTELANEESR1ESR2ALDH1A1
SCHEMBL19186955 0.81 ELANE (0.44) CYP1A2CYP2C19CYP3A4MAPTELANE
SCHEMBL379060 0.80 ELANE (0.51) CYP1A2CYP2C19CYP3A4MAPTELANE
SCHEMBL2604620 0.80 ELANE (0.40) CYP1A2CYP2C19MAPTELANE
SCHEMBL13185841 0.79 ESR1 (0.46) HSD17B1CYP1A2CYP2C19HSD17B2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 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-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT KLK3, PDE7A, FZD7 HSD17B1 380/4885CYP1A2 2642/4885CYP2C19 2306/4885

“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.