SCHEMBL1817586

SCHEMBL1817586

CC(=O)Oc1cc(C)ccc1CC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.45
MTNR1B P49286 5/20 0.45
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ELANE P08246 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
TTR P02766 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C8 P10632 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
ADRA1A P35348 1/20 0.36
PPARG P37231 1/20 0.36
HTR2B P41595 1/20 0.36
PPARA Q07869 1/20 0.36
SLCO1B3 Q9NPD5 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
SCHEMBL1822013 0.82 MTNR1A (0.51) MTNR1AMTNR1BKDM4E
SCHEMBL9314196 0.80 LMNA (0.46) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1820517 0.80 MTNR1A (0.46) MTNR1AMTNR1BLMNAALDH1A1NPC1
SCHEMBL16410216 0.79 MTNR1A (0.44) MTNR1AMTNR1BCYP2C9SMN1; SMN2ALDH1A1
SCHEMBL1819738 0.79 PTGER1 (0.50) MTNR1AMTNR1BCYP2C9SMN1; SMN2TDP1
SCHEMBL9222607 0.78 LMNA (0.50) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1821420 0.78 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL23692161 0.77 MTNR1A (0.42) MTNR1AMTNR1BLMNAALDH1A1CHRM1
SCHEMBL7847835 0.76 LMNA (0.48) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL21044063 0.76 LMNA (0.48) LMNASMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163262-B1 PHENYLALANINE DERIVATIVES US GOV HEALTH & HUMAN SERV (US) 2011-05-11 EP disclosed
US-7825216-B2 Conjugate which inhibits SH2 domains from binding with phosphoproteins for use in prevention and/or treatment of cancer, diabetes, obesity, autoimmune, inflammatory, metabolic and/or cardiovascular diseases; pharmacokinetics, bioavailability THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-02 US disclosed
US-20070219194-A1 Conjugate which inhibits SH2 domains from binding with phosphoproteins for use in prevention and/or treatment of cancer, diabetes, obesity, autoimmune, inflammatory, metabolic and/or cardiovascular diseases; pharmacokinetics, bioavailability GEORGETOWN UNIVERSITY (US) 2007-09-20 US disclosed
US-7226991-B1 inhibiting SH2 domain binding with a phosphoprotein; to inhibit proliferation of tumor cells; for inhibiting the growth of human breast cancer cells UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-06-05 US disclosed
EP-1163262-A1 PHENYLALANINE DERIVATIVES THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by THE SECRETARY of the DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-12-19 EP disclosed
WO-2000056760-A1 PHENYLALANINE DERIVATIVES THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-09-28 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 (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-20070219194-A1 Conjugate which inhibits SH2 domains from binding with phosphoproteins for use in prevention and/or treatment of cancer, diabetes, obesity, autoimmune, inflammatory, metabolic and/or cardiovascular diseases; pharmacokinetics, bioavailability TYRO3, PTMS, ACP1 MTNR1A 2800/4885MTNR1B 3301/4885LMNA 4633/4885

“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.