SCHEMBL4954444

SCHEMBL4954444

CC(C)(C)OP(OCc1ccc(Br)cc1)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
APP P05067 1/20 0.41
MAOB P27338 7/20 0.37
MAOA P21397 3/20 0.34
TAAR1 Q96RJ0 2/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL18650069 0.77 TSHR (0.43) IDO1TAAR1KDM4EALDH1A1MAPT
SCHEMBL5953661 0.77 IDO1 (0.47) IDO1APPMAOBTAAR1RXRA
SCHEMBL5439593 0.74 IDO1 (0.52) IDO1APPMAOBTAAR1RXRA
SCHEMBL11957478 0.74 IDO1 (0.52) IDO1APPMAOBTAAR1RXRA
SCHEMBL7200840 0.70 MAOB (0.37) IDO1APPMAOBMAOATAAR1
SCHEMBL28066876 0.70 IDO1 (0.52) IDO1APPMAOBTAAR1RXRA
SCHEMBL30338358 0.70 IDO1 (0.52) IDO1APPMAOBTAAR1RXRA
SCHEMBL9366824 0.67 IDO1 (0.48) IDO1APPMAOBTAAR1RXRA
SCHEMBL1995347 0.66 IDO1 (0.58) IDO1APPMAOBTAAR1RXRA
SCHEMBL4686836 0.66 IDO1 (0.52) IDO1APPMAOBMAOATAAR1

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-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
US-6977241-B2 SH2 domain binding inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2005-12-20 US disclosed
US-20040048788-A1 Sh2 domain binding inhibitors DEPARTMENT OF HEALTH AND HUMAN SERVICES, UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, OF THE 2004-03-11 US disclosed
EP-1383792-A2 SH2 DOMAIN BINDING INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-01-28 EP 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
WO-2002016407-A2 SH2 DOMAIN BINDING INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-02-28 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 (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-20040048788-A1 Sh2 domain binding inhibitors ACP1, PHLPP1, SORBS1 IDO1 854/4885APP 3817/4885MAOB 3764/4885
US-20060167222-A1 Sh2 domain binding inhibitors ACP1, HCLS1, LASP1 IDO1 1630/4885APP 4345/4885MAOB 4073/4885

“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.