SCHEMBL22686751

SCHEMBL22686751

C#Cc1ccc(Cl)cc1C=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.52
TDP1 Q9NUW8 2/20 0.50
PTPN1 P18031 1/20 0.38
HSD17B10 Q99714 1/20 0.37
XDH P47989 1/20 0.36
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
VCAM1 P19320 1/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 2/20 0.32
PPOX P50336 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL22687457 0.84 TDP1 (0.55) ERN1TDP1PTPN1HSD17B10XDH
SCHEMBL584206 0.80 ERN1 (0.52) ERN1TDP1PTPN1HSD17B10HPGD
SCHEMBL22654821 0.78 CA12 (0.32) ERN1TDP1MEN1KMT2A
SCHEMBL15428103 0.76 SRC (0.43) ERN1TDP1HPGDTSHRALDH1A1
SCHEMBL15428101 0.76 ALDH1A1 (0.39) ERN1TDP1PTPN1ALDH1A1KDM4E
SCHEMBL4357334 0.73 TDP1 (0.70) ERN1TDP1PTPN1HSD17B10XDH
Chlorobenzene SCHEMBL28196887 0.73 KMT2A (0.43) ERN1TDP1HSD17B10HPGDTSHR
SCHEMBL28537631 0.73 PTGDR2 (0.47) ERN1TDP1HSD17B10HPGDALDH1A1
SCHEMBL22685386 0.72 ERN1 (0.56) ERN1TDP1TSHRALDH1A1KDM4E
SCHEMBL22687434 0.72 ALOX5AP (0.36) ERN1PTPN1HSD17B10HPGDTSHR

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-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

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-20200361988-A1 MERTANSINE POLYPEPTIDE CONJUGATES NGLY1, ANPEP, VIP ERN1 4075/4885TDP1 3450/4885PTPN1 2608/4885
US-10913770-B2 Mertansine polypeptide conjugates NGLY1, ANPEP, VIP ERN1 4075/4885TDP1 3450/4885PTPN1 2608/4885

“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.