SCHEMBL18509893

SCHEMBL18509893

C=Cc1cccc2c(CCC(=O)O)c(C)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.51
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
FBP1 P09467 1/20 0.45
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FGFR1 P11362 3/20 0.41
KDR P35968 3/20 0.41
AURKA O14965 2/20 0.41
RET P07949 2/20 0.41
FLT1 P17948 2/20 0.41
FLT3 P36888 2/20 0.41
MAP4K2 Q12851 2/20 0.41
STK3 Q13188 2/20 0.41

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
SCHEMBL4561008 0.86 KDM4E (0.68) EGFRKDM4EMEN1KMT2AGAA
SCHEMBL31006361 0.82 PPARG (0.48) EGFRKDM4EFBP1ALDH1A1SRC
SCHEMBL22118409 0.82 PPARG (0.48) EGFRKDM4EFBP1ALDH1A1SRC
SCHEMBL20120113 0.82 KDM4E (0.73) EGFRKDM4EMEN1KMT2AGAA
SCHEMBL28797748 0.81 RAD52 (0.44) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL19872722 0.81 EGFR (0.56) EGFRKDM4EMEN1KMT2AGAA
SCHEMBL20119993 0.80 EGFR (0.54) EGFRKDM4EMEN1KMT2AGAA
SCHEMBL18509938 0.80 EGFR (0.54) EGFRKDM4EMEN1KMT2AGAA
SCHEMBL20120170 0.80 EGFR (0.54) EGFRKDM4EMEN1KMT2AGAA
SCHEMBL18509719 0.80 EGFR (0.54) EGFRKDM4EMEN1KMT2AGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550079-B2 Artificial self-sufficient cytochrome P450s UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-04 US disclosed
WO-2019183358-A2 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 WO 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
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-02-15 US disclosed
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 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 (3 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-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, POR, CYP4F3 EGFR 2863/4885KDM4E 3127/4885MEN1 4705/4885
US-10550079-B2 Artificial self-sufficient cytochrome P450s CYP4F2, CYP2F1, POR EGFR 2865/4885KDM4E 3326/4885MEN1 4685/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR EGFR 2865/4885KDM4E 3326/4885MEN1 4685/4885

“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.