SCHEMBL18509564

SCHEMBL18509564

Cc1c(CCC(=O)O)c2cc(Cl)ccc2n1C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.56
AKR1C2 P52895 2/20 0.56
PTGS1 P23219 1/20 0.54
TBXAS1 P24557 1/20 0.53
PLA2G4A P47712 4/20 0.49
OXER1 Q8TDS5 2/20 0.49
KMO O15229 1/20 0.47
BCL2L1 Q07817 1/20 0.47
MCL1 Q07820 1/20 0.47
TACR1 P25103 3/20 0.46
EGFR P00533 1/20 0.46
GPR17 Q13304 1/20 0.45

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
SCHEMBL19872619 0.89 MCL1 (0.55) AKR1C3AKR1C2PTGS1TBXAS1KMO
SCHEMBL20120108 0.86 KDM4E (0.50) AKR1C3AKR1C2PTGS1PLA2G4AKMO
SCHEMBL18509545 0.84 SPR (0.59) AKR1C3AKR1C2PTGS1PLA2G4AEGFR
SCHEMBL18509742 0.83 PLA2G2A (0.48) AKR1C3AKR1C2PTGS1TBXAS1PLA2G4A
SCHEMBL18509730 0.83 PLA2G4A (0.47) AKR1C3AKR1C2PTGS1PLA2G4AOXER1
SCHEMBL6926561 0.83 TACR1 (0.65) TBXAS1TACR1
SCHEMBL12923717 0.82 PLA2G4A (0.58) AKR1C3AKR1C2PTGS1PLA2G4AEGFR
SCHEMBL19872643 0.81 EGFR (0.47) AKR1C3AKR1C2PTGS1TBXAS1PLA2G4A
SCHEMBL18271569 0.81 AKR1C3 (0.64) AKR1C3AKR1C2PTGS1
SCHEMBL18509702 0.81 PLA2G4A (0.51) AKR1C3AKR1C2TBXAS1PLA2G4AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019183358-A2 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 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 (1 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 AKR1C3 131/4885AKR1C2 224/4885PTGS1 1662/4885

“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.