SCHEMBL715110

SCHEMBL715110

[c]1ccccc1-c1ncccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGS1 P23219 1/20 0.45
PTPRC P08575 2/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
PTPN13 Q12923 1/20 0.38
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
ABL1 P00519 1/20 0.37
PLCG1 P19174 1/20 0.37
CES1 P23141 1/20 0.37
PAX8 Q06710 1/20 0.37
RIN1 Q13671 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL28600943 0.86 PTGS2 (0.45) PTGS2ALDH1A1HTTHSD17B10PTGS1
SCHEMBL713929 0.80 SLC22A12 (0.35) PTGS2ALDH1A1HTTHSD17B10PTGS1
SCHEMBL7647031 0.79 PTGS2 (0.58) PTGS2ALDH1A1HTTHSD17B10PTGS1
SCHEMBL37278 0.77 PTGS2 (0.66) PTGS2ALDH1A1HTTHSD17B10PTGS1
SCHEMBL28594302 0.77 CDK5 (0.38) PTGS2ALDH1A1HTTHSD17B10PTGS1
Phosphine SCHEMBL29108837 0.75 PTGS2 (0.64) PTGS2ALDH1A1HTTHSD17B10PTGS1
SCHEMBL12854121 0.75 PTPRC (0.57) PTGS2ALDH1A1HTTHSD17B10PTGS1
Ammonia Solution, Strong SCHEMBL20599554 0.75 PTGS2 (0.64) PTGS2ALDH1A1HTTHSD17B10PTGS1
SCHEMBL29227428 0.75 PTGS2 (0.64) PTGS2ALDH1A1HTTHSD17B10PTGS1
SCHEMBL769410 0.75 ALDH1A1 (0.39) PTGS2ALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
EP-3159350-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2020-12-16 EP disclosed
US-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 US 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 (1 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-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 PTGS2 4297/4885ALDH1A1 1391/4885HTT 2214/4885

“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.