SCHEMBL5025970

SCHEMBL5025970

Cc1cc(Oc2cc(=O)[nH]c3cc(Cl)ccc23)cc(C)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
LMNA P02545 2/20 0.50
MCL1 Q07820 4/20 0.46
BCL2 P10415 1/20 0.46
KDM4E B2RXH2 3/20 0.44
CA9 Q16790 1/20 0.44
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PARP1 P09874 1/20 0.41
RHEB Q15382 1/20 0.40
TNKS2 Q9H2K2 1/20 0.39
CHEK1 O14757 1/20 0.39
MAPT P10636 1/20 0.38
MAT2A P31153 1/20 0.38

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
SCHEMBL13429078 0.82 TP53 (0.54) TP53SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL2797754 0.77 TP53 (1.00) TP53SMN1; SMN2LMNAKDM4ECA9
SCHEMBL3213666 0.76 TP53 (0.48) TP53SMN1; SMN2KDM4EPARP1RHEB
SCHEMBL13429129 0.71 RHEB (0.50) SMN1; SMN2LMNAKDM4EGAAALDH1A1
SCHEMBL3217241 0.70 MEN1 (0.60) TP53SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL13429180 0.69 CYP1A2 (0.57) SMN1; SMN2KDM4EGLAGAAALDH1A1
SCHEMBL29410772 0.69 TP53 (0.70) TP53SMN1; SMN2LMNAKDM4ECA9
SCHEMBL2796184 0.69 TP53 (0.70) TP53SMN1; SMN2LMNAKDM4ECA9
SCHEMBL3151814 0.68 LMNA (1.00) TP53SMN1; SMN2LMNAKDM4ECA9
SCHEMBL7465309 0.67 LMNA (0.51) SMN1; SMN2LMNAMCL1GLAALDH1A1

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
WO-2005051974-A2 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-06-09 WO claimed
US-20050038051-A1 Novel molecules for regulating cell death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 US claimed
US-8450333-B2 Molecules for regulating cell death THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-28 US disclosed
US-20080287473-A1 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-20 US disclosed
WO-2005051974-A2 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-06-09 WO disclosed
US-20050038051-A1 Novel molecules for regulating cell death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 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-20080287473-A1 NOVEL MOLECULES FOR REGULATING CELL DEATH AIFM1, BAX, HSPE1 TP53 101/4885SMN1; SMN2 2685/4885LMNA 1467/4885
US-20050038051-A1 Novel molecules for regulating cell death AIFM1, BAX, HSPE1 TP53 101/4885SMN1; SMN2 2685/4885LMNA 1467/4885

“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.