SCHEMBL17651663

SCHEMBL17651663

CC(C)(C/C=C/c1ccc(F)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HSD11B1 P28845 1/20 0.46
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TNFRSF1A P19438 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PPARA Q07869 5/20 0.41
NFE2L2 Q16236 2/20 0.41
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL17651664 1.00 LMNA (0.48) LMNATP53HSD11B1GRIK1GRIK2
SCHEMBL1716939 0.84 PAM (0.53) LMNASMN1; SMN2PPARACYP2C19
SCHEMBL1716940 0.84 PAM (0.53) LMNASMN1; SMN2PPARACYP2C19
SCHEMBL16213234 0.81 PPARA (0.62) GRIK1GRIK2PPARACYP2C19
SCHEMBL17651678 0.81 PPARA (0.62) GRIK1GRIK2PPARACYP2C19
SCHEMBL13153522 0.78 NFE2L2 (0.48) LMNATP53HSD11B1SMN1; SMN2PTGS1
SCHEMBL13181176 0.74 LMNA (0.44) LMNATP53HSD11B1SMN1; SMN2PTGS1
SCHEMBL10521642 0.73 ACHE (0.43) LMNATP53SMN1; SMN2PPARANFE2L2
SCHEMBL5311088 0.73 PAM (0.68) LMNATP53HSD11B1GRIK1GRIK2
SCHEMBL5311091 0.73 PAM (0.68) LMNATP53HSD11B1GRIK1GRIK2

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-10017441-B2 Direct anti-markovnikov addition of acids to alkenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-07-10 US disclosed
US-20160096791-A1 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES UNIV NORTH CAROLINA (US) 2016-04-07 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 (2 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-20160096791-A1 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES HAO2, DUOX2, PDK2 LMNA 3289/4885TP53 4661/4885HSD11B1 954/4885
US-10017441-B2 Direct anti-markovnikov addition of acids to alkenes HAO2, DUOX2, PDK2 LMNA 3289/4885TP53 4661/4885HSD11B1 954/4885

“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.