SCHEMBL21392039

SCHEMBL21392039

Cc1c(CCC(=O)O)c2ccc(C3CC3)cc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.45
PLA2G10 O15496 1/20 0.44
PLA2G2A P14555 1/20 0.44
EGFR P00533 3/20 0.43
PLA2G4A P47712 1/20 0.40
MAT2A P31153 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
NOTUM Q6P988 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PTGS1 P23219 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL21392132 0.91 FABP4 (0.49) FABP4PLA2G10PLA2G2AEGFRPLA2G4A
SCHEMBL18509483 0.82 EGFR (0.49) PLA2G10EGFRPLA2G4ATHRATHRB
SCHEMBL19872728 0.81 KDM4E (0.50) PLA2G2AEGFRPLA2G4ATHRATHRB
SCHEMBL18029313 0.81 MAT2A (0.36) FABP4PLA2G10PLA2G2AMAT2ANOTUM
SCHEMBL19872619 0.80 MCL1 (0.55) EGFRAKR1C3AKR1C2BCL2L1MCL1
SCHEMBL19872669 0.80 AKR1C3 (0.53) PLA2G10EGFRPLA2G4ATHRATHRB
SCHEMBL20120068 0.80 EGLN1 (0.52) EGFRPLA2G4ATHRATHRBAKR1C3
SCHEMBL19872667 0.79 EGFR (0.48) EGFRPLA2G4ASLC22A12THRATHRB
SCHEMBL20119990 0.78 PTGS1 (0.55) PLA2G2AAKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL18509737 0.78 RXRA (0.54) EGFRPLA2G4ATHRATHRBKDM4E

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 FABP4 2470/4885PLA2G10 1324/4885PLA2G2A 1590/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 FABP4 2470/4885PLA2G10 1324/4885PLA2G2A 1590/4885

“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.