SCHEMBL2604648

SCHEMBL2604648

C=C(C)C(=O)Oc1cc(F)cc(-c2ccc3c(F)c(OC(=O)C(=C)C)ccc3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ELANE P08246 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
SCN9A Q15858 1/20 0.32
HSD17B1 P14061 3/20 0.32
HSD17B2 P37059 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ERN1 O75460 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
PGR P06401 1/20 0.31
FGFR4 P22455 1/20 0.31

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
SCHEMBL2604645 0.87 HSD17B1 (0.41) ESR1ESR2ELANEHSD17B1HSD17B2
SCHEMBL2604643 0.85 ELANE (0.40) ELANEFGFR1FGFR2HSD17B1HSD17B2
SCHEMBL2604637 0.83 ESR1 (0.36) ESR1ESR2FGFR1FGFR2HSD17B1
SCHEMBL2604629 0.83 ELANE (0.38) ELANEFGFR1FGFR2CYP1A2CYP2C19
SCHEMBL17750812 0.82 ELANE (0.42) ESR1ESR2ELANEKMT2AATM
SCHEMBL2604621 0.80 ELANE (0.48) ELANECYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL18194831 0.78 ELANE (0.40) ESR1ESR2ELANEKMT2AATM
SCHEMBL24440861 0.76 ELANE (0.40) ELANECYP1A2CYP3A4CYP2C19ERN1
SCHEMBL16641187 0.76 GAPDH (0.40) ESR1ESR2ELANEHSD17B1HSD17B2
SCHEMBL2604657 0.74 ERN1 (0.39) ELANECYP3A4ERN1KMT2AATM

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 ESR1 1743/4885ESR2 2745/4885ELANE 2411/4885

“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.