SCHEMBL20935255

SCHEMBL20935255

C#Cc1ccc2[nH]c(C)c(CCC(=O)O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.55
EGFR P00533 2/20 0.51
TBXAS1 P24557 1/20 0.51
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 5/20 0.50
GAA P10253 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
AKR1C2 P52895 1/20 0.46
RAD52 P43351 1/20 0.45
BLM P54132 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
KLK6 Q92876 1/20 0.45
FFAR1 O14842 1/20 0.44

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
SCHEMBL20935258 0.90 EGFR (0.54) APEX1EGFRTBXAS1KDM4EALDH1A1
SCHEMBL7369831 0.87 APEX1 (0.55) APEX1EGFRTBXAS1KDM4EALDH1A1
SCHEMBL19872790 0.82 KDM4E (0.73) APEX1EGFRTBXAS1KDM4EALDH1A1
SCHEMBL852745 0.81 HSD17B10 (0.67) APEX1EGFRTBXAS1KDM4EALDH1A1
SCHEMBL18509842 0.80 ADRA2A (0.62) APEX1EGFRTBXAS1KDM4EALDH1A1
SCHEMBL18509850 0.80 APEX1 (0.59) APEX1EGFRTBXAS1KDM4EALDH1A1
SCHEMBL15229645 0.80 APEX1 (0.59) APEX1EGFRTBXAS1KDM4EALDH1A1
SCHEMBL18509470 0.80 APEX1 (0.59) APEX1EGFRTBXAS1KDM4EALDH1A1
SCHEMBL18029165 0.79 KDM4E (0.44) APEX1TBXAS1KDM4EALDH1A1GAA
SCHEMBL19872772 0.77 APEX1 (0.56) APEX1EGFRTBXAS1KDM4EALDH1A1

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-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
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

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 APEX1 1660/4885EGFR 2865/4885TBXAS1 1295/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR APEX1 1660/4885EGFR 2865/4885TBXAS1 1295/4885

“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.