SCHEMBL10593239

SCHEMBL10593239

O=C(NCCc1ccc(O)c(O)c1)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
HSD17B10 Q99714 3/20 0.64
HIF1A Q16665 2/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
HPGD P15428 2/20 0.64
BLM P54132 2/20 0.64
PTGS1 P23219 1/20 0.64
APP P05067 1/20 0.54
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
THPO P40225 1/20 0.53
TRPV1 Q8NER1 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52

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
SCHEMBL11734210 0.84 MAPT (0.69) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL6540877 0.83 CA1 (0.50) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL30791016 0.83 MAPT (0.67) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL1872295 0.83 MAPT (0.67) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL7339301 0.82 ALDH1A1 (0.46) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL6433557 0.81 KDM4E (0.61) MAPTKDM4EALDH1A1CYP1A2MEN1
SCHEMBL2746004 0.81 MAPT (0.65) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL109163 0.81 MAPT (0.74) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL7105545 0.81 MAPT (0.74) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL26491275 0.80 MAPT (0.63) MAPTHSD17B10HIF1AKDM4EALDH1A1

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
WO-2020032080-A1 COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND 学校法人慶應義塾 2020-02-13 WO disclosed
WO-2020032080-A1 COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND 学校法人慶應義塾 2020-02-13 WO disclosed
WO-2019178547-A1 BENZOXAZINE POLYMERS AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 WO disclosed
US-20130030192-A1 Method of Synthesizing Acetonide-Protected Catechol-Containing Compounds and Intermediates Produced Therein NORTHWESTERN UNIVERSITY 2013-01-31 US disclosed
US-8227628-B2 Method of synthesizing acetonide-protected catechol-containing compounds and intermediates produced therein NORTHWESTERN UNIVERSITY (US) 2012-07-24 US disclosed
US-20100087622-A1 Method of Synthesizing Acetonide-Protected Catechol-Containing Compounds and Intermediates Produced Therein NORTHWESTERN UNIVERSITY (US) 2010-04-08 US disclosed
EP-0347256-A2 Method for detecting a substance in a sample TOSOH CORPORATION (JP) 1989-12-20 EP 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-20100087622-A1 Method of Synthesizing Acetonide-Protected Catechol-Containing Compounds and Intermediates Produced Therein DBH, COMT, PAH MAPT 3973/4885HSD17B10 96/4885HIF1A 1487/4885
US-20130030192-A1 Method of Synthesizing Acetonide-Protected Catechol-Containing Compounds and Intermediates Produced Therein DBH, COMT, PAH MAPT 3973/4885HSD17B10 96/4885HIF1A 1487/4885

“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.