SCHEMBL15428101

SCHEMBL15428101

C#Cc1ccc(F)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ERN1 O75460 2/20 0.38
PTPN1 P18031 1/20 0.38
NFE2L2 Q16236 2/20 0.33
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5747733 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EERN1PTPN1NFE2L2
SCHEMBL29954838 0.80 KDM4E (0.39) ALDH1A1KDM4EERN1PTPN1
SCHEMBL1956935 0.80 KDM4E (0.39) ALDH1A1KDM4EERN1PTPN1
SCHEMBL22654821 0.78 CA12 (0.32) ERN1MEN1KMT2ALMNATHRB
SCHEMBL18464860 0.77 ERN1 (0.37) ALDH1A1KDM4EERN1PTPN1CES2
SCHEMBL15428103 0.76 SRC (0.43) ALDH1A1KDM4EERN1MAPTMEN1
SCHEMBL22686751 0.76 ERN1 (0.52) ALDH1A1KDM4EERN1PTPN1MAPT
SCHEMBL22687434 0.76 ALOX5AP (0.36) ALDH1A1KDM4EERN1PTPN1CES2
SCHEMBL4363014 0.73 ERN1 (0.46) ALDH1A1KDM4EERN1PTPN1NFE2L2
SCHEMBL29957006 0.73 ERN1 (0.46) ALDH1A1KDM4EERN1PTPN1NFE2L2

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
US-10913770-B2 Mertansine polypeptide conjugates VISION GLOBAL HOLDINGS LIMITED (CN) 2021-02-09 US disclosed
US-20200361988-A1 MERTANSINE POLYPEPTIDE CONJUGATES VISION GLOBAL HOLDINGS LIMITED (HK) 2020-11-19 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 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 (3 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-20200361988-A1 MERTANSINE POLYPEPTIDE CONJUGATES NGLY1, ANPEP, VIP ALDH1A1 3769/4885KDM4E 3679/4885ERN1 4075/4885
US-10913770-B2 Mertansine polypeptide conjugates NGLY1, ANPEP, VIP ALDH1A1 3769/4885KDM4E 3679/4885ERN1 4075/4885
US-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 ALDH1A1 3721/4885KDM4E 3816/4885ERN1 2987/4885

“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.