SCHEMBL2604644

SCHEMBL2604644

C=CC(=O)Oc1ccc(-c2cccc(-c3ccc(OC(=O)C=C)cc3F)c2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
PTGS2 P35354 3/20 0.40
FAAH O00519 3/20 0.40
CTSA P10619 1/20 0.39
THRB P10828 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL2604628 0.95 AKR1C3 (0.46) AKR1C3AKR1C2PTGS2FAAH
SCHEMBL18472419 0.91 PTGS1 (0.46) AKR1C3AKR1C2PTGS2FAAHTHRB
SCHEMBL2604649 0.88 FFAR4 (0.41) AKR1C3AKR1C2PTGS2CTSATHRB
SCHEMBL9607903 0.88 THRB (0.44) AKR1C3AKR1C2PTGS2THRBESR1
SCHEMBL9607789 0.87 THRB (0.45) THRBESR1ESR2
SCHEMBL9607850 0.86 THRB (0.43) AKR1C3AKR1C2PTGS2THRBESR1
SCHEMBL9607784 0.84 ESR1 (0.39) AKR1C3AKR1C2CTSATHRBESR1
SCHEMBL3438597 0.84 ERN1 (0.39) AKR1C3AKR1C2PTGS2CTSATHRB
SCHEMBL24411805 0.82 HSD17B1 (0.38) AKR1C3AKR1C2THRBESR1ESR2
SCHEMBL18773562 0.81 CYP2C19 (0.53) AKR1C3AKR1C2PTGS2CTSATHRB

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 AKR1C3 3550/4885AKR1C2 3486/4885PTGS2 2451/4885

“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.