SCHEMBL20952937

SCHEMBL20952937

CN1c2ccccc2CCC1(C)I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
USP2 O75604 1/20 0.40
CDK4 P11802 1/20 0.40
ALOX15 P16050 1/20 0.40
CCND1 P24385 1/20 0.40
NOTUM Q6P988 2/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 5/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PAX8 Q06710 1/20 0.37
MCL1 Q07820 1/20 0.37
MAPT P10636 5/20 0.37
HTR2A P28223 4/20 0.37
KDM4E B2RXH2 4/20 0.37
SLC6A2 P23975 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 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
SCHEMBL787597 0.82 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL24388771 0.81 NOTUM (0.41) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL27935817 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL14337678 0.73 NOTUM (0.42) ALDH1A1MEN1KMT2ANOTUMTP53
SCHEMBL28136163 0.69 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL28136165 0.69 MEN1 (0.36) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL28136891 0.69 MEN1 (0.36) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL28144033 0.69 MEN1 (0.36) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL1655895 0.68 NOTUM (0.43) ALDH1A1MEN1KMT2ANOTUMLMNA
SCHEMBL9590671 0.68 NOTUM (0.44) ALDH1A1MEN1KMT2AUSP2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors POLYPHOR AG (CH) 2019-04-30 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 (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-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors SERPINB1, ELANE, XPNPEP1 ALDH1A1 4577/4885MEN1 2797/4885KMT2A 3523/4885

“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.