SCHEMBL18509533

SCHEMBL18509533

Cn1cc(CCC(=O)O)c2c(Cl)cccc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.51
CDK2 P24941 1/20 0.51
CMA1 P23946 4/20 0.47
CTSG P08311 1/20 0.47
HTR2C P28335 5/20 0.45
HTR2B P41595 5/20 0.45
HTR2A P28223 4/20 0.45
RXFP1 Q9HBX9 1/20 0.44
GPR17 Q13304 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC22A12 Q96S37 1/20 0.41

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
SCHEMBL3833273 0.85 CDK2 (0.47) MCL1CDK2CMA1CTSGHTR2C
SCHEMBL20119869 0.84 HTR2C (0.63) CMA1CTSGHTR2CHTR2BHTR2A
SCHEMBL21392216 0.84 CMA1 (0.64) CDK2CMA1CTSGHTR2CHTR2B
SCHEMBL18509797 0.83 CMA1 (0.47) CMA1CTSGHTR2CHTR2BHTR2A
SCHEMBL20120027 0.83 CMA1 (0.47) CMA1CTSGHTR2CHTR2BHTR2A
SCHEMBL18509674 0.83 CMA1 (0.47) CMA1CTSGHTR2CHTR2BHTR2A
SCHEMBL20935266 0.82 CMA1 (0.45) MCL1CDK2CMA1CTSGHTR2C
SCHEMBL18509808 0.82 PTGER1 (0.50) CMA1CTSGHTR2CHTR2BHTR2A
SCHEMBL18509716 0.81 CMA1 (0.46) CMA1CTSGHTR2CHTR2BHTR2A
SCHEMBL18509795 0.81 HTR2C (0.50) CMA1CTSGHTR2CHTR2BHTR2A

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
US-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 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-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 MCL1 3164/4885CDK2 3721/4885CMA1 1371/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 MCL1 3164/4885CDK2 3721/4885CMA1 1371/4885

“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.