SCHEMBL2604641

SCHEMBL2604641

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
HSD17B1 P14061 6/20 0.40
HSD17B2 P37059 6/20 0.40
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
FFAR4 Q5NUL3 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GSTP1 P09211 1/20 0.35
ABL1 P00519 1/20 0.34
ABCB1 P08183 1/20 0.34
BCR P11274 1/20 0.34
GRK6 P43250 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL2604638 0.85 ELANE (0.41) ELANEHSD17B1HSD17B2KMT2AATM
SCHEMBL10014244 0.84 ELANE (0.47) ELANEHSD17B1HSD17B2KMT2AATM
SCHEMBL11961803 0.84 ELANE (0.51) ELANEHSD17B1HSD17B2KMT2AATM
SCHEMBL17433306 0.84 ELANE (0.51) ELANEHSD17B1HSD17B2KMT2AATM
SCHEMBL2604643 0.84 ELANE (0.40) ELANEHSD17B1HSD17B2KMT2AATM
SCHEMBL2123474 0.83 ELANE (0.48) ELANEHSD17B1HSD17B2KMT2AATM
SCHEMBL2604651 0.83 ELANE (0.50) ELANEKMT2AATMFFAR4RXRA
SCHEMBL2604635 0.82 HSD17B1 (0.39) HSD17B1HSD17B2KMT2AFFAR4CYP1A2
SCHEMBL2604639 0.82 HSD17B1 (0.44) ELANEHSD17B1HSD17B2KMT2AATM
SCHEMBL2604640 0.81 HSD17B1 (0.46) ELANEHSD17B1HSD17B2KMT2AATM

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 ELANE 2411/4885HSD17B1 380/4885HSD17B2 409/4885

“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.