SCHEMBL38710

SCHEMBL38710

Nc1ccc(C(=O)c2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
FFAR1 O14842 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
PPARA Q07869 1/20 0.49
MAPT P10636 2/20 0.49
PTPN7 P35236 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PTPN12 Q05209 1/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
SRD5A2 P31213 1/20 0.46
TSHR P16473 1/20 0.46
NR4A1 P22736 1/20 0.46

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
SCHEMBL655820 0.91 ALOX15 (0.65) ALOX15ALDH1A1SMN1; SMN2FFAR1ITGB3
SCHEMBL16035699 0.91 ALOX15 (0.65) ALOX15ALDH1A1SMN1; SMN2FFAR1ITGB3
Hydrochloric Acid SCHEMBL830710 0.89 ALOX15 (0.63) ALOX15ALDH1A1SMN1; SMN2FFAR1ITGB3
SCHEMBL22065482 0.85 ALOX15 (0.59) ALOX15ALDH1A1SMN1; SMN2FFAR1PPARA
SCHEMBL38789 0.85 ALOX15 (0.70) ALOX15ALDH1A1SMN1; SMN2FFAR1PPARA
SCHEMBL11261731 0.84 ESR1 (0.60) ALOX15ALDH1A1SMN1; SMN2FFAR1MAPT
SCHEMBL38747 0.83 PPARA (0.62) FFAR1PPARAMAPTGAASRD5A2
SCHEMBL17154344 0.82 ALOX15 (0.55) ALOX15ALDH1A1SMN1; SMN2FFAR1MAPT
SCHEMBL10428800 0.82 LMNA (0.58) ALOX15ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL17946627 0.82 HPGD (0.58) ALOX15ALDH1A1SMN1; SMN2FFAR1PPARA

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
US-8426390-B2 Triazene compounds for the treatment of cancer TRIN THERAPEUTICS GMBH (DE) 2013-04-23 US disclosed
US-8426390-B2 Triazene compounds for the treatment of cancer TRIN THERAPEUTICS GMBH (DE) 2013-04-23 US disclosed
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer TRIN THERAPEUTICS GMBH (DE) 2012-02-02 US disclosed
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer TRIN THERAPEUTICS GMBH (DE) 2012-02-02 US disclosed
US-8034797-B2 Triazene compounds for the treatment of cancer TRIN THERAPEUTICS GMBH (DE) 2011-10-11 US disclosed
US-8034797-B2 Triazene compounds for the treatment of cancer TRIN THERAPEUTICS GMBH (DE) 2011-10-11 US disclosed
US-20100234327-A1 Novel Triazene Compounds For The Treatment Of Cancer TRIN PHARMA GMBH (CH) 2010-09-16 US disclosed
US-20100234327-A1 Novel Triazene Compounds For The Treatment Of Cancer TRIN PHARMA GMBH (CH) 2010-09-16 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 (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-20100234327-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL ALOX15 4134/4885ALDH1A1 3145/4885SMN1; SMN2 2078/4885
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL ALOX15 4134/4885ALDH1A1 3145/4885SMN1; SMN2 2078/4885

“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.