SCHEMBL21392213

SCHEMBL21392213

O=C(O)CCc1c[nH]c2ccc(-c3ccccc3)cc12

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.66
CYP2C19 P33261 1/20 0.66
ICMT O60725 4/20 0.55
NR4A2 P43354 1/20 0.52
CDK4 P11802 2/20 0.52
CCND1 P24385 2/20 0.52
CNR2 P34972 1/20 0.52
PTGER1 P34995 1/20 0.51
PTGER4 P35408 1/20 0.51
PTGER3 P43115 1/20 0.51
PTGER2 P43116 1/20 0.51
TRPV1 Q8NER1 4/20 0.51
SCN9A Q15858 1/20 0.51
FAAH O00519 1/20 0.51
LTA4H P09960 1/20 0.51
PLA2G2A P14555 1/20 0.51
SNCA P37840 1/20 0.50
MPO P05164 1/20 0.50

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
SCHEMBL20120174 0.89 GPR17 (0.56) HPGDCYP2C19CDK4CCND1PTGER1
SCHEMBL23226253 0.88 HPGD (0.61) HPGDCYP2C19ICMTCDK4CCND1
SCHEMBL14605596 0.86 NR4A2 (0.57) HPGDCYP2C19ICMTNR4A2CDK4
SCHEMBL4605998 0.85 NR4A2 (0.60) HPGDCYP2C19ICMTNR4A2CDK4
SCHEMBL30261856 0.85 TSHR (0.66) HPGDICMTNR4A2CNR2TRPV1
SCHEMBL23701757 0.85 TSHR (0.66) HPGDICMTNR4A2CNR2TRPV1
SCHEMBL24453252 0.84 HTR2C (0.62) ICMTNR4A2CDK4CCND1CNR2
Indolylpropionic Acid SCHEMBL195405 0.82 MAPT (0.68) HPGDCYP2C19CDK4FAAHMPO
Indolylpropionic Acid SCHEMBL29521227 0.82 MAPT (0.68) HPGDCYP2C19CDK4FAAHMPO
Indolylpropionic Acid SCHEMBL29374161 0.82 MAPT (0.68) HPGDCYP2C19CDK4FAAHMPO

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-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 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-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 HPGD 245/4885CYP2C19 239/4885ICMT 2908/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 HPGD 245/4885CYP2C19 239/4885ICMT 2908/4885

“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.