SCHEMBL3363287

SCHEMBL3363287

CCN(CC)c1ccc(C(C)=CC(=O)O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 12/20 0.44
ALDH1A1 P00352 11/20 0.44
KDM4E B2RXH2 9/20 0.44
GAA P10253 6/20 0.43
HPGD P15428 3/20 0.43
POLB P06746 1/20 0.43
HTT P42858 4/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ALOX12 P18054 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41

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
SCHEMBL3134656 0.83 MAPT (0.49) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL3134661 0.83 MAPT (0.49) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL27567617 0.83 MEN1 (0.52) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL27503707 0.83 MEN1 (0.52) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL8072839 0.81 MEN1 (0.61) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL503775 0.81 MEN1 (0.75) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL22939653 0.79 MEN1 (0.77) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL16507813 0.76 MEN1 (0.56) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL1178123 0.76 CA12 (0.57) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL1178120 0.76 CA12 (0.57) MEN1KMT2ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-7449315-B2 Bifunctional energy-reversible acyl-compositions CRYOLIFE, INC. (US) 2008-11-11 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
US-20070167644-A1 BIFUNCTIONAL ENERGY-REVERSIBLE ACYL-COMPOSITIONS CRYOLIFE, INC. (US) 2007-07-19 US disclosed
US-20060106204-A1 Bifunctional energy-reversible acyl-compositions GILBERT CARL W 2006-05-18 US disclosed
US-20020187993-A1 Bifunctional energy-reversible acyl-compositions CRYOLIFE, INC. 2002-12-12 US disclosed
EP-0489836-B1 LIGHT ACTIVATED ACYL-ENZYMES UNIV DUKE (US) 1994-12-21 EP disclosed
US-5218137-A Chemical light amplifiers DUKE UNIVERSITY (US) 1993-06-08 US disclosed
EP-0489836-A4 LIGHT ACTIVATED ACYL-ENZYMES 1993-05-26 EP disclosed
EP-0489836-A1 LIGHT ACTIVATED ACYL-ENZYMES. UNIV DUKE (US) 1992-06-17 EP disclosed
US-5114851-A Serine- or cysteine-containing protease modified by nucleophilic cinnamic acid; photoisomerization; biological switches; medical diagnosis DUKE UNIVERSITY (US) 1992-05-19 US disclosed
WO-1991003549-A1 LIGHT ACTIVATED ACYL-ENZYMES DUKE UNIVERSITY (US) 1991-03-21 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 (5 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A MEN1 3638/4885KMT2A 1108/4885SMN1; SMN2 862/4885
US-20020187993-A1 Bifunctional energy-reversible acyl-compositions ACACB, ACACA, ACAT1 MEN1 2183/4885KMT2A 1494/4885SMN1; SMN2 2626/4885
US-20070167644-A1 BIFUNCTIONAL ENERGY-REVERSIBLE ACYL-COMPOSITIONS ACACB, ACAT1, ACACA MEN1 2547/4885KMT2A 1444/4885SMN1; SMN2 2834/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 MEN1 4701/4885KMT2A 2353/4885SMN1; SMN2 1238/4885
US-20060106204-A1 Bifunctional energy-reversible acyl-compositions ACACB, ACAT1, ACACA MEN1 2547/4885KMT2A 1444/4885SMN1; SMN2 2834/4885

“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.