SCHEMBL18509701

SCHEMBL18509701

COc1ccc2c(c1)c(CCC(=O)O)cn2C

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.67
MTNR1B P49286 6/20 0.67
NQO2 P16083 1/20 0.67
ADRB2 P07550 2/20 0.67
PPARG P37231 2/20 0.65
PPARD Q03181 2/20 0.65
PPARA Q07869 2/20 0.65
HTR6 P50406 1/20 0.64
POLB P06746 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RAB9A P51151 1/20 0.55
PLA2G4A P47712 3/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TBXAS1 P24557 1/20 0.51

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
SCHEMBL19872723 0.89 POLB (0.56) MTNR1AMTNR1BNQO2ADRB2PPARG
SCHEMBL15242222 0.88 MTNR1A (0.70) MTNR1AMTNR1BNQO2ADRB2PPARG
SCHEMBL2685182 0.86 MTNR1A (0.63) MTNR1AMTNR1BNQO2ADRB2HTR6
SCHEMBL8306890 0.83 ADRB2 (0.74) MTNR1AMTNR1BNQO2ADRB2HTR6
SCHEMBL20119843 0.82 SPR (0.60) MTNR1AMTNR1BNQO2PPARGPPARD
SCHEMBL18509793 0.82 TP53 (0.53) MTNR1AMTNR1BNQO2ADRB2PPARG
SCHEMBL12185393 0.81 ADRB2 (0.76) MTNR1AMTNR1BNQO2ADRB2HTR6
SCHEMBL13888101 0.81 ADRB2 (0.70) MTNR1AMTNR1BNQO2ADRB2HTR6
SCHEMBL18509874 0.81 HPGD (0.51) MTNR1AMTNR1BNQO2ADRB2PPARG
SCHEMBL18509694 0.81 LMNA (0.49) MTNR1AMTNR1BNQO2ADRB2PPARG

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-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-10550079-B2 Artificial self-sufficient cytochrome P450s UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-04 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 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
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 (5 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 MTNR1A 3563/4885MTNR1B 4196/4885NQO2 150/4885
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, POR, CYP4F3 MTNR1A 2049/4885MTNR1B 2814/4885NQO2 126/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 MTNR1A 3563/4885MTNR1B 4196/4885NQO2 150/4885
US-10550079-B2 Artificial self-sufficient cytochrome P450s CYP4F2, CYP2F1, POR MTNR1A 2068/4885MTNR1B 2862/4885NQO2 136/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR MTNR1A 2068/4885MTNR1B 2862/4885NQO2 136/4885

“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.