SCHEMBL794412

SCHEMBL794412

O=C(OCc1ccccc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
SLC6A2 P23975 1/20 0.62
SLC6A3 Q01959 1/20 0.62
LMNA P02545 4/20 0.57
HPGD P15428 2/20 0.56
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PDE7A Q13946 1/20 0.49

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
SCHEMBL30141079 0.93 HPGD (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL24983859 0.93 HPGD (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2788605 0.92 LMNA (0.55) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL28633934 0.90 KDM4E (0.56) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL22015349 0.88 TDP1 (0.62) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2719972 0.87 LMNA (0.56) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2338199 0.86 HPGD (0.76) LMNAHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL13287192 0.86 HPGD (0.55) LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL289420 0.86 KMT2A (0.60) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL793724 0.85 MEN1 (0.65) KMT2ALMNAHPGDSMN1; SMN2NPC1

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
CN-110305102-B 1, 3-benzodioxole natural polyphenolic acid ester compound and application thereof in reducing blood fat 陕西中医药大学 2020-11-24 CN disclosed
US-9517993-B2 Antagonists of the toll-like receptor 1/2 complex THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2016-12-13 US disclosed
US-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 US disclosed
EP-2879669-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX The Regents of The University of Colorado, A Body Corporate (US) 2015-06-10 EP disclosed
US-8901317-B2 Tryptamine derivatives, their preparation and their use in gastropathy COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-02 US disclosed
WO-2014022287-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-02-06 WO disclosed
US-20130197052-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY UNIVERSITY OF CALCUTTA (IN) 2013-08-01 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 (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-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX TLR2, TLR1, TLR3 KMT2A 2587/4885TDP1 1568/4885SLC6A2 4242/4885
US-20130197052-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY HTRA2, AIFM1, SI KMT2A 3725/4885TDP1 1458/4885SLC6A2 605/4885

“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.