SCHEMBL17855735

SCHEMBL17855735

c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 4/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
OPRK1 P41145 1/20 0.34
AHR P35869 2/20 0.33
HCRTR1 O43613 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ATM Q13315 1/20 0.32
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 1/20 0.30
ALOX5 P09917 1/20 0.30
TNKS O95271 1/20 0.30

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
SCHEMBL17855754 0.97 MMP12 (0.34) MMP12MMP13MEN1MAPTKMT2A
SCHEMBL17855628 0.97 MMP12 (0.34) MMP12MMP13MEN1MAPTKMT2A
SCHEMBL17855734 0.97 MMP12 (0.34) MMP12MMP13MEN1MAPTKMT2A
SCHEMBL21923939 0.97 MMP12 (0.34) MMP12MMP13MEN1MAPTKMT2A
SCHEMBL25814653 0.96 MMP12 (0.36) MMP12MMP13MEN1MAPTKMT2A
SCHEMBL25814652 0.96 MMP12 (0.36) MMP12MMP13MEN1MAPTKMT2A
SCHEMBL17855757 0.94 PLA2G2A (0.35) MMP12MMP13MEN1MAPTKMT2A
SCHEMBL17855707 0.94 MMP12 (0.33) MMP12MMP13MEN1MAPTKMT2A
SCHEMBL25814730 0.94 MMP12 (0.34) MMP12MMP13MEN1MAPTKMT2A
SCHEMBL25814806 0.94 MMP12 (0.34) MMP12MMP13MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE ESR1, ESR2, CCNE2 MMP12 4079/4885MMP13 4738/4885MEN1 782/4885

“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.