SCHEMBL21999082

SCHEMBL21999082

CCCC1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN1 P18031 3/20 0.34
ACP1 P24666 2/20 0.34
CDC25B P30305 2/20 0.34
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BACE1 P56817 1/20 0.31
KAT2A Q92830 2/20 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
SCHEMBL3784327 0.87 ALDH1A1 (0.46) GLANPSR1PTPN1ACP1CDC25B
SCHEMBL6385190 0.85 PTPN1 (0.46) GLANPSR1PTPN1ACP1CDC25B
SCHEMBL25185948 0.84 PTPN1 (0.49) GLANPSR1PTPN1ACP1CDC25B
SCHEMBL6059323 0.81 GLA (0.50) GLANPSR1PTPN1ACP1CDC25B
SCHEMBL8163132 0.78 GLA (0.47) GLANPSR1PTPN1TSHRMAPT
SCHEMBL3103539 0.77 GLA (0.40) GLANPSR1ALDH1A1KMT2AKDM4E
SCHEMBL3080655 0.77 GLA (0.40) GLANPSR1PTPN1HTT
SCHEMBL3093119 0.77 GLA (0.47) GLANPSR1
SCHEMBL1350702 0.75
SCHEMBL29109313 0.75 ALDH1A1 (0.44) NPSR1PTPN1ACP1CDC25BALDH1A1

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-11046762-B2 Cross-linkers and their uses IMMUNOGEN, INC. (US) 2021-06-29 US disclosed
US-20200148764-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN, INC. 2020-05-14 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-20200148764-A1 CROSS-LINKERS AND THEIR USES MTCL3, DCLRE1A, PCNA GLA 1185/4885NPSR1 2458/4885PTPN1 4485/4885
US-11046762-B2 Cross-linkers and their uses MTCL3, DCLRE1A, PCNA GLA 1185/4885NPSR1 2458/4885PTPN1 4485/4885

“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.