SCHEMBL21248657

SCHEMBL21248657

N#Cc1c(-c2ccccc2)c(-c2ccccc2)[c]c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 4/20 0.46
ALOX15 P16050 2/20 0.46
KDM4E B2RXH2 5/20 0.42
MAPT P10636 2/20 0.42
ADORA2A P29274 3/20 0.41
ADRA2A P08913 1/20 0.41
HTT P42858 1/20 0.41
PDE9A O76083 1/20 0.41
PTPN1 P18031 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.41
ADORA1 P30542 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
IDO1 P14902 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL12679798 0.82 ALDH1A1 (0.55) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL12681373 0.82 ALDH1A1 (0.55) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL28910963 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL3843112 0.79 CYP19A1 (0.39) ALDH1A1HSD17B10ALOX15MAPTHTT
SCHEMBL619469 0.77 MAPT (0.43) ALDH1A1HSD17B10KDM4EMAPTHTT
SCHEMBL16984845 0.77 ALDH1A1 (0.55) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL21248636 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL3849844 0.76 CYP19A1 (0.37) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL1034013 0.75 ALDH1A1 (0.53) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL20763036 0.72 HSD17B10 (0.54) ALDH1A1HSD17B10ALOX15KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749674-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-12-16 EP disclosed
US-20200369697-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-11-26 US disclosed
WO-2019157376-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-08-15 WO 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-20200369697-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MSRB3, MMAB, CYB5R3 ALDH1A1 1160/4885HSD17B10 964/4885ALOX15 676/4885

“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.