SCHEMBL2604633

SCHEMBL2604633

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.48
HSD17B1 P14061 7/20 0.46
HSD17B2 P37059 5/20 0.46
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 4/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE6D O43924 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL2604632 0.91 THRB (0.61) THRBHSD17B1HSD17B2CYP11B1CYP11B2
SCHEMBL2604639 0.84 HSD17B1 (0.44) HSD17B1HSD17B2RXRARXRBCYP11B1
SCHEMBL2604631 0.82 HSD17B1 (0.42) THRBHSD17B1HSD17B2RXRARXRB
SCHEMBL16921474 0.79 THRB (0.49) THRBHSD17B1HSD17B2CYP11B1CYP11B2
SCHEMBL2604634 0.79 HSD17B1 (0.39) THRBHSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL2604635 0.79 HSD17B1 (0.39) THRBHSD17B1HSD17B2RXRARXRB
SCHEMBL2124788 0.78 PLG (0.44) THRBHSD17B1HSD17B2RXRARXRB
SCHEMBL20346181 0.76 THRB (0.46) THRBHSD17B1HSD17B2CYP11B1CYP11B2
SCHEMBL2604640 0.75 HSD17B1 (0.46) THRBHSD17B1HSD17B2CYP11B1CYP11B2
SCHEMBL819722 0.75 THRB (0.53) THRBCYP3A4LMNAL3MBTL1

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 THRB 4883/4885HSD17B1 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.