SCHEMBL4294304

SCHEMBL4294304

CCC(=O)Nc1cccc(C(=O)O)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
KDM4E B2RXH2 5/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
LMNA P02545 2/20 0.68
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CASR P41180 1/20 0.52
POLB P06746 1/20 0.51
HPGD P15428 4/20 0.50
SELP P16109 1/20 0.49
SELE P16581 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP2C9 P11712 1/20 0.48
GPR35 Q9HC97 1/20 0.47
CXCR2 P25025 1/20 0.47
CLCN2 P51788 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL4289827 0.87 KDM4E (0.64) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL3378244 0.87 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL29543730 0.84 KMT2A (0.70) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL111479 0.84 KMT2A (0.70) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
Phenol SCHEMBL28121926 0.83 KMT2A (0.64) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL9958894 0.83 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL2449980 0.83 KDM4E (0.68) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL3633756 0.82 SMN1; SMN2 (0.66) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL4290828 0.81 KDM4E (0.59) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL30810149 0.80 ALDH1A1 (0.63) ALDH1A1KDM4ESMN1; SMN2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203770-A1 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING Bcl-2 FAMILY MEMBER PROTEINS FRED HUTCHISON CANCER RESEARCH CENTER (US) 2009-08-13 US disclosed
US-7241804-B1 Compositions and methods for modulating apoptosis in cells over-expressing Bcl-2 family member proteins FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2007-07-10 US disclosed
EP-1218368-A4 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING bcl-2 FAMILY MEMBER PROTEINS HUTCHINSON FRED CANCER RES (US) 2003-04-16 EP disclosed
EP-1218368-A1 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING bcl-2 FAMILY MEMBER PROTEINS Fred Hutchinson Cancer Research Center (US) 2002-07-03 EP disclosed
WO-2001014365-A1 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING bcl-2 FAMILY MEMBER PROTEINS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2001-03-01 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-20090203770-A1 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING Bcl-2 FAMILY MEMBER PROTEINS BCL2, BAX, BCL2A1 ALDH1A1 4187/4885KDM4E 4139/4885SMN1; SMN2 1953/4885

“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.