SCHEMBL18509737

SCHEMBL18509737

Cc1c(CCC(=O)O)c2ccc(-c3ccccc3)cc2n1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
GPR17 Q13304 2/20 0.53
EGFR P00533 2/20 0.50
FFAR4 Q5NUL3 4/20 0.46
PLA2G4A P47712 1/20 0.46
FFAR1 O14842 1/20 0.45
MAOB P27338 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GLA P06280 1/20 0.42
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42

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
SCHEMBL18509702 0.90 PLA2G4A (0.51) RXRARXRBGPR17EGFRPLA2G4A
SCHEMBL20119873 0.89 RXRA (0.45) RXRARXRBGPR17EGFRFFAR4
SCHEMBL18509483 0.83 EGFR (0.49) EGFRPLA2G4ATHRATHRBALDH1A1
SCHEMBL19872728 0.82 KDM4E (0.50) EGFRPLA2G4ATHRATHRBALDH1A1
SCHEMBL19872619 0.81 MCL1 (0.55) GPR17EGFR
SCHEMBL19872669 0.81 AKR1C3 (0.53) GPR17EGFRFFAR4PLA2G4AFFAR1
SCHEMBL20120068 0.81 EGLN1 (0.52) GPR17EGFRPLA2G4ATHRATHRB
SCHEMBL19872667 0.80 EGFR (0.48) EGFRPLA2G4ATHRATHRBALDH1A1
SCHEMBL20119990 0.79 PTGS1 (0.55) GPR17ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19871276 0.79 RXRA (0.48) RXRARXRBMAOBALDH1A1

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-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
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 RXRA 671/4885RXRB 646/4885GPR17 3697/4885
US-10550079-B2 Artificial self-sufficient cytochrome P450s CYP4F2, CYP2F1, POR RXRA 512/4885RXRB 531/4885GPR17 3737/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR RXRA 512/4885RXRB 531/4885GPR17 3737/4885

“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.