SCHEMBL17754341

SCHEMBL17754341

C=C(C)C(=O)Oc1ccc(-c2ccc(-c3ccc(OC4CCCCO4)cc3)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.42
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 3/20 0.34
ATM Q13315 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
ELANE P08246 1/20 0.33
TNK2 Q07912 3/20 0.33
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32

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
SCHEMBL17754315 0.94 APP (0.43) APPCYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL17750863 0.89 APP (0.37) APPCYP2C9KMT2AATMPRKAB2
SCHEMBL219405 0.89 KMT2A (0.41) KMT2AATMELANETNK2MEN1
SCHEMBL22459337 0.88 KMT2A (0.36) APPKMT2AATMELANEMEN1
SCHEMBL20972880 0.85 KMT2A (0.44) KMT2AATMELANETNK2MEN1
SCHEMBL22109919 0.85 EPHX1 (0.38) KMT2AATMELANETNK2MEN1
SCHEMBL17754325 0.85 KMT2A (0.37) KMT2AATMELANETNK2MEN1
SCHEMBL17754338 0.82 APP (0.41) APPCYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL9607895 0.82 ELANE (0.47) APPCYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL17625821 0.79 ELANE (0.42) APPCYP2C9CYP3A4CYP2C19CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 US disclosed
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME RCC1, LPXN, SMC4 APP 612/4885CYP2C9 2955/4885CYP3A4 3558/4885

“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.