SCHEMBL3109271

SCHEMBL3109271

Oc1ccc(Cl)c(O)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
DPP4 P27487 1/20 0.39
HSD17B10 Q99714 4/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEP1A Q16819 1/20 0.39
MEP1B Q16820 1/20 0.39
HSD17B1 P14061 3/20 0.38
HSD17B2 P37059 3/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PIM1 P11309 1/20 0.35
KDM4E B2RXH2 1/20 0.33
BRD4 O60885 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL17696931 0.83 DPP4 (0.42) CYP3A4MAPK1DPP4HSD17B10TSHR
SCHEMBL17107575 0.81 CYP3A4 (0.48) CYP3A4MAPK1HSD17B10TSHRALDH1A1
SCHEMBL911858 0.79 CYP3A4 (0.59) CYP3A4MAPK1HSD17B10TSHRALDH1A1
SCHEMBL29782293 0.79 CYP3A4 (0.59) CYP3A4MAPK1HSD17B10TSHRALDH1A1
SCHEMBL12902973 0.75 CYP3A4 (0.42) CYP3A4MAPK1HSD17B10TSHRALDH1A1
SCHEMBL118745 0.75 MEP1A (0.40) CYP3A4MAPK1DPP4HSD17B10TSHR
SCHEMBL27411750 0.75 CYP3A4 (0.42) CYP3A4MAPK1HSD17B10TSHRALDH1A1
SCHEMBL529908 0.75 HTR2B (0.39) CYP3A4MAPK1DPP4HSD17B10ALDH1A1
SCHEMBL7460667 0.75 CA1 (0.43) CYP3A4MAPK1DPP4HSD17B10TSHR
SCHEMBL19474727 0.75 DPP4 (0.37) CYP3A4MAPK1DPP4HSD17B10TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2236508-B1 Reactive Heterocycle-Substituted 7-Hydroxycoumarins and Their Conjugates BECTON DICKINSON CO (US) 2015-08-26 EP disclosed
US-8431416-B2 Reactive heterocycle-substituted 7-hydroxycoumarins and their conjugates BECTON, DICKINSON AND COMPANY (US) 2013-04-30 US disclosed
US-8318953-B2 Reactive coumarin derivatives and their use in cellular analyses AAT BIOQUEST, INC. (US) 2012-11-27 US disclosed
US-20110318772-A1 REACTIVE COUMARIN DERIVATIVES AND THEIR USE IN CELLULAR ANALYSES AAT BIOQUEST, INC. (US) 2011-12-29 US disclosed
CN-101270105-B Coumarin compound for enzymatic activity analysis and enzyme inhibitor sifting motion, and synthesizing process DESUO YANG 2011-09-14 CN disclosed
US-20100255504-A1 Reactive Heterocycle-Substituted 7-Hydroxycoumarins and Their Conjugates BECTON, DICKINSON AND COMPANY (US) 2010-10-07 US disclosed
EP-2236508-A1 Reactive Heterocycle-Substituted 7-Hydroxycoumarins and Their Conjugates Becton, Dickinson and Company (US) 2010-10-06 EP disclosed
CN-101270105-A Coumarin compound for enzymatic activity analysis and enzyme inhibitor sifting motion, and synthesizing process DESUO YANG (CN) 2008-09-24 CN 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-20110318772-A1 REACTIVE COUMARIN DERIVATIVES AND THEIR USE IN CELLULAR ANALYSES CYP3A7, XPO7, HCCS CYP3A4 11/4885MAPK1 2217/4885DPP4 2958/4885
US-20100255504-A1 Reactive Heterocycle-Substituted 7-Hydroxycoumarins and Their Conjugates HLCS, CD44, HCCS CYP3A4 71/4885MAPK1 4456/4885DPP4 4479/4885

“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.