SCHEMBL8043388

SCHEMBL8043388

CCCCOc1ccc(C(CC(C)C)C(=O)OCC)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 1/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
TP53 P04637 1/20 0.52
LMNA P02545 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ACACB O00763 1/20 0.46
GPR88 Q9GZN0 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
SCHEMBL2421065 0.82 LMNA (0.59) SMN1; SMN2MAPK1MEN1KMT2ATDP1
SCHEMBL1201816 0.81 LMNA (0.64) LMNAACACB
SCHEMBL1201984 0.80 CA12 (0.51) SMN1; SMN2KMT2ATDP1LMNA
SCHEMBL28462964 0.80 SMN1; SMN2 (0.64) SMN1; SMN2MAPK1MEN1KMT2ATDP1
SCHEMBL8503477 0.80 LMNA (0.57) SMN1; SMN2MAPK1MEN1KMT2ATDP1
SCHEMBL8503491 0.80 LMNA (0.57) SMN1; SMN2MAPK1MEN1KMT2ATDP1
SCHEMBL27810662 0.79 MAPT (0.47) SMN1; SMN2MEN1KMT2ATDP1LMNA
SCHEMBL2645672 0.79 FFAR2 (0.47) SMN1; SMN2MAPK1TDP1TP53LMNA
SCHEMBL9258698 0.79 RARB (0.56) SMN1; SMN2MAPK1MEN1KMT2ATDP1
SCHEMBL27995630 0.79 MMP8 (0.51) SMN1; SMN2MEN1KMT2ALMNAMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
WO-2009036428-A2 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-03-19 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-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 SMN1; SMN2 1997/4885MAPK1 1846/4885MEN1 3767/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 SMN1; SMN2 1997/4885MAPK1 1846/4885MEN1 3767/4885

“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.