SCHEMBL16190872

SCHEMBL16190872

Cc1c(-n2c(-c3ccccc3)ccc2-c2ccccc2)cccc1-n1c(-c2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
KDM4E B2RXH2 3/20 0.59
XBP1 P17861 1/20 0.59
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 4/20 0.42
PKM P14618 3/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGS2 P35354 1/20 0.38
MYC P01106 1/20 0.37
PCSK9 Q8NBP7 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
SCHEMBL16178655 0.78 MAPT (0.70) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL21799208 0.78 MAPT (0.59) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL16188022 0.77 KDM4E (0.58) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL12245305 0.71 MAPT (0.50) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL10205946 0.70 ALDH1A1 (0.69) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL5010875 0.70 MAPK1 (0.59) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL11310071 0.69 MAPT (0.52) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL12770167 0.67 MYC (0.46) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL21799211 0.67 MAPT (0.45) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL10029971 0.67 ALDH1A1 (0.50) MAPTKDM4EALDH1A1POLBHTT

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
US-9701702-B2 Metathesis catalysts and methods thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-07-11 US disclosed
US-20160229877-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL SCIENCE FOUNDATION 2016-08-11 US disclosed
US-9206211-B2 Metathesis catalysts and methods thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-12-08 US disclosed
US-20140316088-A1 METATHESIS CATALYSTS AND METHODS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-23 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 (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-20160229877-A1 METATHESIS CATALYSTS AND METHODS THEREOF CYP51A1, SQLE, MOGAT2 MAPT 3449/4885KDM4E 2305/4885XBP1 1788/4885
US-20140316088-A1 METATHESIS CATALYSTS AND METHODS THEREOF CYP51A1, SQLE, MOGAT2 MAPT 3449/4885KDM4E 2305/4885XBP1 1788/4885

“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.