SCHEMBL20120108

SCHEMBL20120108

Cc1ccc2c(c1)c(CCC(=O)O)c(C)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
POLB P06746 2/20 0.50
HSD17B10 Q99714 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PLA2G4A P47712 2/20 0.49
EGFR P00533 4/20 0.49
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
SPR P35270 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
PTGS1 P23219 1/20 0.45
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMO O15229 1/20 0.42
TP53 P04637 1/20 0.41
PLA2G10 O15496 1/20 0.41
AKR1B1 P15121 1/20 0.40

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
SCHEMBL29160656 0.93 EGFR (0.51) KDM4EPOLBHSD17B10L3MBTL1PLA2G4A
SCHEMBL29123527 0.88 PLA2G2A (0.46) KDM4EPOLBHSD17B10L3MBTL1PLA2G4A
SCHEMBL18509483 0.88 EGFR (0.49) KDM4EPOLBHSD17B10L3MBTL1PLA2G4A
SCHEMBL18509545 0.87 SPR (0.59) KDM4EHSD17B10PLA2G4AEGFRAKR1C3
SCHEMBL18509564 0.86 AKR1C3 (0.56) PLA2G4AEGFRAKR1C3AKR1C2PTGS1
SCHEMBL18509730 0.86 PLA2G4A (0.47) PLA2G4AEGFRAKR1C3AKR1C2SPR
SCHEMBL18509742 0.86 PLA2G2A (0.48) KDM4EHSD17B10PLA2G4AEGFRAKR1C3
SCHEMBL28621882 0.85 SPR (0.51) KDM4EPOLBHSD17B10L3MBTL1AKR1C3
SCHEMBL28627007 0.85 SPR (0.48) KDM4EPOLBHSD17B10L3MBTL1PLA2G4A
SCHEMBL12923717 0.85 PLA2G4A (0.58) KDM4EHSD17B10PLA2G4AEGFRAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
CN-113429332-B 3-substituted indole derivative, preparation method thereof and application thereof in antitumor drugs 长春工业大学 2023-12-15 CN disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 US disclosed
US-11591627-B2 Modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-02-28 US disclosed
CN-113429332-A 3-substituted indole derivative, preparation method thereof and application thereof in antitumor drugs 长春工业大学 2021-09-24 CN disclosed
US-20210108237-A1 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-04-15 US disclosed
US-10550079-B2 Artificial self-sufficient cytochrome P450s UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-04 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 (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-10550079-B2 Artificial self-sufficient cytochrome P450s CYP4F2, CYP2F1, POR KDM4E 3326/4885POLB 2446/4885HSD17B10 73/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR KDM4E 3326/4885POLB 2446/4885HSD17B10 73/4885

“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.