SCHEMBL18509447

SCHEMBL18509447

Cn1cc(CCC(=O)O)c2ccc(-c3ccncc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.47
NR1D1 P20393 4/20 0.43
HDAC8 Q9BY41 1/20 0.43
FFAR4 Q5NUL3 3/20 0.42
CHEK1 O14757 1/20 0.41
CAPN1 P07384 1/20 0.41
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MCL1 Q07820 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
METAP2 P50579 1/20 0.39

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
SCHEMBL20935033 0.90 NR4A2 (0.56) NR4A2NR1D1CCNCCDK8ALDH1A1
SCHEMBL20120024 0.88 PTGER1 (0.49) NR4A2FFAR4RXRARXRB
SCHEMBL24143036 0.82 HTR2A (0.54) NR4A2NR1D1CHEK1CCNCCDK8
SCHEMBL21392031 0.81 NR4A2 (0.49) NR4A2NR1D1HDAC8CHEK1CAPN1
SCHEMBL19871248 0.80 ALDH1A1 (0.46) NR4A2NR1D1HDAC8CHEK1CAPN1
SCHEMBL24143779 0.80 NR1D1 (0.50) NR4A2NR1D1HDAC8CHEK1METAP2
SCHEMBL15322731 0.79 SPR (0.47) ALDH1A1MCL1
SCHEMBL20119861 0.79 CDK2 (0.51) ALDH1A1MAPTMCL1
SCHEMBL18509430 0.78 NR4A2 (0.55) NR4A2RXRARXRB
SCHEMBL20935020 0.78 CDK2 (0.52) ALDH1A1

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 7 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
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
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 (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 NR4A2 2093/4885NR1D1 751/4885HDAC8 4088/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR NR4A2 2093/4885NR1D1 751/4885HDAC8 4088/4885

“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.