SCHEMBL620973

SCHEMBL620973

O=c1oc2ccccc2cc1C(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
TYR P14679 1/20 0.55
DAO P14920 1/20 0.55
AKR1B1 P15121 1/20 0.55
POLB P06746 1/20 0.55
MAOB P27338 7/20 0.51
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
RAB9A P51151 3/20 0.51
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50
CA1 P00915 2/20 0.50
CA3 P07451 1/20 0.50
TSHR P16473 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
GPR35 Q9HC97 1/20 0.50

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
SCHEMBL1264494 0.86 SMN1; SMN2 (0.56) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL1568299 0.81 HPGD (0.59) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL30493818 0.81 HPGD (0.55) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL12456653 0.81 HPGD (0.55) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL19127755 0.79 HPGD (0.56) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL4048148 0.77 HSD17B3 (0.58) HPGDAKR1B1POLBKDM4EALDH1A1
SCHEMBL15736793 0.76 SMN1; SMN2 (0.53) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL28004016 0.76 HPGD (0.49) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL9233565 0.75 HPGD (0.47) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL7143389 0.75 HPGD (0.51) HPGDSMN1; SMN2TYRDAOAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321553-B Method for synthesizing 3-position difluoromethyl substituted coumarin derivative from aryl alkyne acid ester 天津科技大学 2022-11-08 CN disclosed
CN-112321553-B Method for synthesizing 3-position difluoromethyl substituted coumarin derivative from aryl alkyne acid ester 天津科技大学 2022-11-08 CN disclosed
CN-111364057-B Method for continuously preparing C-3-position polyfluoromethyl substituted coumarin by using electrochemical microchannel reaction device 中国药科大学 2022-04-29 CN disclosed
CN-112321553-A Method for synthesizing 3-position difluoromethyl substituted coumarin derivative from aryl alkyne acid ester 天津科技大学 2021-02-05 CN disclosed
CN-112321553-A Method for synthesizing 3-position difluoromethyl substituted coumarin derivative from aryl alkyne acid ester 天津科技大学 2021-02-05 CN disclosed
CN-111364057-A Method for continuously preparing C-3-position polyfluoromethyl substituted coumarin by using electrochemical microchannel reaction device 中国药科大学 2020-07-03 CN disclosed
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MOLECULAR PROBES, INC. 2017-03-16 US disclosed
US-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use LIFE TECHNOLOGIES CORP (US) 2016-05-19 US disclosed
US-8865891-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2014-10-21 US disclosed
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2013-04-11 US disclosed
US-8318450-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2012-11-27 US disclosed
US-20120040380-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2012-02-16 US disclosed
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2009-02-19 US disclosed
EP-1711504-A2 DERIVATIVES OF CEPHALOSPORIN AND CLAVULANIC ACID FOR DETECTING BETA-LACTAMASE IN A SAMPLE Molecular Probes Inc. (US) 2006-10-18 EP disclosed
WO-2005071096-A9 DERIVATIVES OF CEPHALOSPORIN AND CLAVULANIC ACID FOR DETECTING BETA-LACAMASE IN A SAMPLE 2006-02-02 WO disclosed
US-20050227309-A1 Optically-detectable enzyme substrates and their method of use MOLECULAR PROBES, INC. 2005-10-13 US disclosed
WO-2005071096-A2 DERIVATIVES OF CEPHALOSPORIN AND CLAVULANIC ACID FOR DETECTING BETA-LACAMASE IN A SAMPLE MOLECULAR PROBES, INC. (US) 2005-08-04 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-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA HPGD 650/4885SMN1; SMN2 1639/4885TYR 1033/4885
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA HPGD 650/4885SMN1; SMN2 1639/4885TYR 1033/4885
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA HPGD 650/4885SMN1; SMN2 1639/4885TYR 1033/4885
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA HPGD 650/4885SMN1; SMN2 1639/4885TYR 1033/4885
US-20050227309-A1 Optically-detectable enzyme substrates and their method of use MGAM, LCT, GAA HPGD 650/4885SMN1; SMN2 1639/4885TYR 1033/4885

“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.