SCHEMBL5512902

SCHEMBL5512902

CCOc1ccc(/C=C/[N+](=O)[O-])cc1OCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.65
MAPT P10636 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
ALDH1A1 P00352 4/20 0.64
MAPK1 P28482 3/20 0.64
KDM4E B2RXH2 3/20 0.64
HTT P42858 2/20 0.64
MITF O75030 1/20 0.64
CACNA1B Q00975 1/20 0.64
APBA1 Q02410 1/20 0.64
LMNA P02545 4/20 0.63
NPSR1 Q6W5P4 3/20 0.63
NTSR1 P30989 2/20 0.63
CCR6 P51684 2/20 0.63
NPC1 O15118 2/20 0.63
HSP90AA1 P07900 2/20 0.63
PKM P14618 2/20 0.63
RAB9A P51151 2/20 0.63
S1PR4 O95977 1/20 0.63
XBP1 P17861 1/20 0.63

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
SCHEMBL5512905 1.00 VCP (0.65) VCPMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL1411603 0.93 VCP (0.78) VCPMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL7207216 0.93 VCP (0.78) VCPMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL2742572 0.93 VCP (0.78) VCPMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL15952288 0.88 LMNA (0.67) VCPMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL15952287 0.88 LMNA (0.67) VCPMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL9692560 0.88 VCP (0.61) VCPMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL9692565 0.88 VCP (0.61) VCPMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL7999955 0.87 TLR4 (0.67) VCPMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL5691263 0.84 TLR4 (0.60) VCPMAPTSMN1; SMN2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037813-A1 Serine Protease Inhibitors GENENTECH, INC. (US) 2007-02-15 US disclosed
EP-1144373-B1 SERINE PROTEASE INHIBITORS GENENTECH INC (US) 2005-10-19 EP disclosed
US-20050186198-A1 Serine protease inhibitors GENENTECH, INC. 2005-08-25 US disclosed
US-6919369-B2 Controlling blood coagulation GENENTECH, INC. (US) 2005-07-19 US disclosed
US-20030212071-A1 Serine protease inhibitors GENENTECH, INC. 2003-11-13 US disclosed
US-6472393-B1 Serine protease inhibitors GENENTECH, INC. 2002-10-29 US disclosed
EP-1144373-A3 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2002-01-02 EP disclosed
EP-1144373-A2 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2001-10-17 EP disclosed
WO-2000041531-A2 SERINE PROTEASE INHIBITORS GENENTECH, INC. (US) 2000-07-20 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 (3 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-20030212071-A1 Serine protease inhibitors SERPINE1, SPINT2, TFPI VCP 2441/4885MAPT 4012/4885SMN1; SMN2 4178/4885
US-20070037813-A1 Serine Protease Inhibitors TFPI, SPINT2, SERPINE1 VCP 2295/4885MAPT 3882/4885SMN1; SMN2 4351/4885
US-20050186198-A1 Serine protease inhibitors TFPI, SPINT2, SERPINE1 VCP 2295/4885MAPT 3882/4885SMN1; SMN2 4351/4885

“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.