SCHEMBL4958199

SCHEMBL4958199

CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
APP P05067 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL25378918 0.93 ALDH1A1 (0.46) KMT2ALMNACYP1A2NPC1RAB9A
SCHEMBL29134320 0.91 MMP8 (0.47) KMT2ALMNACYP1A2NPC1RAB9A
SCHEMBL1820943 0.83 LMNA (0.46) KMT2ALMNAALOX5ALDH1A1APP
SCHEMBL21612880 0.82 SMN1; SMN2 (0.41) KMT2ALMNACYP1A2NPC1RAB9A
SCHEMBL2599350 0.81 LMNA (0.45) KMT2ALMNACYP1A2NPC1RAB9A
SCHEMBL17965782 0.81 SRC (0.50) KMT2ALMNARECQLCYP2D6TSHR
SCHEMBL1820503 0.81 LMNA (0.42) KMT2ALMNACYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3529730 0.80 LMNA (0.44) KMT2ALMNACYP1A2NPC1RAB9A
SCHEMBL16569006 0.79 PPARG (0.44) KMT2ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL16569010 0.79 TYR (0.46) KMT2ALMNANPC1RAB9ARECQL

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
US-7425537-B2 SH2 domain binding inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-09-16 US disclosed
US-20060167222-A1 Sh2 domain binding inhibitors GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2006-07-27 US disclosed
WO-2004003005-A2 SH2 DOMAIN BINDING INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-01-08 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-20060167222-A1 Sh2 domain binding inhibitors ACP1, HCLS1, LASP1 KMT2A 1103/4885LMNA 4717/4885CYP1A2 4834/4885

“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.