SCHEMBL5961752

SCHEMBL5961752

C=C(C(=O)Oc1cc(C#Cc2ccc(C)cc2)ccc1OCC)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.35
FFAR1 O14842 2/20 0.35
ACACB O00763 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CES2 O00748 1/20 0.33
ACHE P22303 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL5961744 0.79 ACACB (0.43) TSHRFFAR1ACACBCYP1A2CYP2C9
SCHEMBL14507232 0.77 RXRA (0.44) MAPK1FFAR1LMNAMAPTKMT2A
SCHEMBL10071953 0.71 RXRA (0.41) TSHRMAPK1ACACBCYP1A2CYP2C9
SCHEMBL16541891 0.68 ACACB (0.42) TSHRFFAR1ACACBCYP2C19KMT2A
SCHEMBL5961742 0.68 NPC1 (0.47) TSHRCYP1A2CYP2C9CYP2C19LMNA
SCHEMBL5961780 0.68 MAPT (0.44) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL15338893 0.66 ACACB (0.40) TSHRACACBCYP2C19MAPTKMT2A
SCHEMBL16183984 0.66 HAO1 (0.38) FFAR1ACACB
SCHEMBL16183985 0.66 FFAR1 (0.35) FFAR1ACACB
SCHEMBL17935910 0.66 KDM4E (0.58) TSHRMAPK1ACACBLMNAMAPT

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 TSHR 1525/4885MAPK1 948/4885FFAR1 479/4885

“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.