SCHEMBL2604640

SCHEMBL2604640

C=C(C)C(=O)Oc1cc(CCC)cc(-c2ccc3cc(OC(=O)C(=C)C)ccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.46
HSD17B2 P37059 4/20 0.46
THRB P10828 2/20 0.42
ELANE P08246 1/20 0.38
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
MTNR1A P48039 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
PTPN1 P18031 1/20 0.35
PTPN11 Q06124 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
MAOA P21397 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
SCHEMBL2604639 0.91 HSD17B1 (0.44) HSD17B1HSD17B2ELANECYP11B1CYP11B2
SCHEMBL2604632 0.85 THRB (0.61) HSD17B1HSD17B2THRBCYP11B1CYP11B2
SCHEMBL2604638 0.82 ELANE (0.41) HSD17B1HSD17B2ELANECYP11B1CYP11B2
SCHEMBL11961803 0.81 ELANE (0.51) HSD17B1HSD17B2ELANECYP11B1CYP11B2
SCHEMBL10014244 0.81 ELANE (0.47) HSD17B1HSD17B2ELANECYP11B1CYP11B2
SCHEMBL17433306 0.81 ELANE (0.51) HSD17B1HSD17B2ELANECYP11B1CYP11B2
SCHEMBL2604641 0.81 ELANE (0.40) HSD17B1HSD17B2ELANECYP11B1CYP11B2
SCHEMBL2604643 0.81 ELANE (0.40) HSD17B1HSD17B2ELANECYP11B1CYP11B2
SCHEMBL2123474 0.80 ELANE (0.48) HSD17B1HSD17B2ELANEFFAR4KMT2A
SCHEMBL20827825 0.78 THRB (0.58) THRBELANEKMT2AATMNPC1

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 380/4885HSD17B2 409/4885THRB 4883/4885

“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.