SCHEMBL5961870

SCHEMBL5961870

C=C(C(=O)Oc1cc(C(=O)Oc2ccc(C)cc2)ccc1OCCCCC)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 1/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 3/20 0.40
PLA2G4B P0C869 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
SMPD1 P17405 3/20 0.39
PRSS1 P07477 1/20 0.39

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
SCHEMBL5961748 0.99 PLA2G2D (0.45) PLA2G2DNPC1LMNACYP1A2CYP3A4
SCHEMBL12731222 0.94 LMNA (0.50) PLA2G2DNPC1LMNACYP1A2CYP3A4
SCHEMBL5961742 0.87 NPC1 (0.47) PLA2G2DNPC1LMNACYP1A2CYP3A4
SCHEMBL5961736 0.87 LMNA (0.41) PLA2G2DNPC1LMNACYP1A2CYP3A4
SCHEMBL5961747 0.86 KMT2A (0.44) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL14507239 0.79 PRSS1 (0.49) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5961780 0.79 MAPT (0.44) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5961765 0.79 NPC1 (0.45) PLA2G2DNPC1LMNACYP1A2CYP3A4
SCHEMBL5961740 0.76 MAPT (0.43) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5961758 0.76 KMT2A (0.41) NPC1LMNACYP1A2CYP3A4CYP2D6

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-8168734-B2 Lateral alpha-substituted acrylate compound and polymer thereof JNC CORPORATION (JP) 2012-05-01 US disclosed
US-20110144293-A1 LATERAL ALPHA-SUBSTITUTED ACRYLATE COMPOUND AND POLYMER THEREOF CHISSO CORPORATION (JP) 2011-06-16 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-20110144293-A1 LATERAL ALPHA-SUBSTITUTED ACRYLATE COMPOUND AND POLYMER THEREOF LEF1, AFF1, CNKSR1 PLA2G2D 3994/4885NPC1 2695/4885LMNA 272/4885

“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.