SCHEMBL20120174

SCHEMBL20120174

O=C(O)CCc1c[nH]c2cc(-c3ccccc3)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 3/20 0.56
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
CDK4 P11802 4/20 0.52
CCND1 P24385 4/20 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
SCN9A Q15858 2/20 0.51
CDK2 P24941 1/20 0.49
FFAR1 O14842 1/20 0.49
FAAH O00519 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
PDPK1 O15530 1/20 0.47
S1PR1 P21453 1/20 0.47
EGFR P00533 1/20 0.46
PDGFRB P09619 1/20 0.46

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
SCHEMBL21392213 0.89 HPGD (0.66) HPGDCYP2C19CDK4CCND1PTGER1
SCHEMBL18509541 0.88 IMPDH2 (0.52) GPR17HPGDCYP2C19CDK4CCND1
SCHEMBL31370752 0.85 KMT2A (0.55) HPGDCYP2C19CDK4CCND1SCN9A
SCHEMBL16433272 0.84 IMPDH2 (0.52) CDK4CCND1SCN9ACDK2FAAH
Oxalic Acid SCHEMBL2533927 0.83 HTR2C (0.57) CYP2C19CDK4CCND1SCN9ACDK2
Indolylpropionic Acid SCHEMBL29374161 0.82 MAPT (0.68) HPGDCYP2C19CDK4FAAHALDH1A1
Indolylpropionic Acid SCHEMBL195405 0.82 MAPT (0.68) HPGDCYP2C19CDK4FAAHALDH1A1
Indolylpropionic Acid SCHEMBL29521227 0.82 MAPT (0.68) HPGDCYP2C19CDK4FAAHALDH1A1
SCHEMBL15323483 0.81 HTR2C (0.65) GPR17HPGDCYP2C19ALDH1A1MAPT
SCHEMBL2539043 0.81 HTR2A (0.63) MAPTIMPDH2

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 5 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-10550079-B2 Artificial self-sufficient cytochrome P450s UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-04 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 US disclosed
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-04-25 US disclosed
WO-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 WO 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 (4 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 GPR17 4789/4885HPGD 245/4885CYP2C19 239/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 GPR17 4789/4885HPGD 245/4885CYP2C19 239/4885
US-10550079-B2 Artificial self-sufficient cytochrome P450s CYP4F2, CYP2F1, POR GPR17 3737/4885HPGD 260/4885CYP2C19 48/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR GPR17 3737/4885HPGD 260/4885CYP2C19 48/4885

“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.