SCHEMBL5961744

SCHEMBL5961744

C=C(C(=O)Oc1cc(C#Cc2ccc(C)cc2)ccc1C#Cc1ccc(OCCCCC)cc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.43
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
PLK1 P53350 3/20 0.36
PLA2G4B P0C869 1/20 0.36
FFAR1 O14842 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL5961752 0.79 TSHR (0.36) ACACBTP53TSHRFFAR1LMNA
SCHEMBL5961742 0.76 NPC1 (0.47) TP53TSHRPLK1PLA2G4BNPC1
SCHEMBL5961870 0.74 PLA2G2D (0.43) PLA2G4BNPC1LMNACYP1A2CYP3A4
SCHEMBL5961748 0.73 PLA2G2D (0.45) PLA2G4BNPC1LMNACYP1A2CYP3A4
SCHEMBL16183984 0.72 HAO1 (0.38) ACACBFFAR1
SCHEMBL16435786 0.71 NR5A1 (0.58) TP53TSHRPLA2G4BNPC1LMNA
SCHEMBL16182714 0.70 ELANE (0.38) ACACBFFAR1
SCHEMBL9743380 0.70 NR5A1 (0.45) TP53TSHR
SCHEMBL16183985 0.69 FFAR1 (0.35) ACACBFFAR1
SCHEMBL8661380 0.69 TSHR (0.51) ACACBTP53TSHRPLA2G4BNPC1

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 ACACB 3183/4885TP53 583/4885TSHR 1525/4885

“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.