SCHEMBL5164284

SCHEMBL5164284

C=CCN(CC=C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPK1 P28482 4/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 4/20 0.46
ALDH3A1 P30838 2/20 0.46
TP53 P04637 2/20 0.45
GPR35 Q9HC97 2/20 0.45
HIF1A Q16665 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 3/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 2/20 0.42
HCAR3 P49019 2/20 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
SCHEMBL3050943 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA
SCHEMBL28808502 0.83 MAPK1 (0.53) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA
SCHEMBL3046306 0.80 MAPT (0.50) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA
SCHEMBL1524806 0.79 ALDH3A1 (0.65) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA
SCHEMBL5850710 0.78 PGR (0.42) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA
SCHEMBL15660693 0.77 ALDH1A1 (0.49) ALDH1A1MAPK1MAPTSMN1; SMN2TDP1
SCHEMBL10453217 0.76 ALDH3A1 (0.48) ALDH1A1MAPK1MAPTSMN1; SMN2TDP1
SCHEMBL7809597 0.76 ALDH1A1 (0.52) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA
SCHEMBL6395129 0.76 ALDH3A1 (0.67) ALDH1A1MAPK1MAPTSMN1; SMN2TDP1
SCHEMBL8893715 0.76 ALDH1A1 (0.47) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222237-B1 MATERIALS FOR INDUCING ALIGNMENT IN LIQUID CRYSTALS AND LIQUID CRYSTAL DISPLAYS ELSICON INC (US) 2007-04-11 EP disclosed
EP-1155353-B1 MATERIALS FOR INDUCING ALIGNMENT OF LIQUID CRYSTALS AND LIQUID CRYSTAL OPTICAL ELEMENTS ELSICON INC (US) 2006-10-04 EP disclosed
US-6991834-B1 Materials for inducing alignment of liquid crystals and liquid crystal optical elements ELSICON, INC. (US) 2006-01-31 US disclosed
EP-1155353-A4 MATERIALS FOR INDUCING ALIGNMENT OF LIQUID CRYSTALS AND LIQUID CRYSTAL OPTICAL ELEMENTS ELSICON INC (US) 2003-04-23 EP disclosed
US-6491988-B1 POLYAMIC ACID, POLYAMIDE ESTER AND POLYIMIDES; ANISOTROPICALLY ABSORBING; EXPOSING LAYER TO POLARIZED LIGHT; CROSSLINKING DIAMINES HAVING SIDE CHAINS OF C3-C22 LINEAR AND BRANCHED AND PARTIALLY FLUORINATED HYDROCARBONSCHAINS ELSICON, INC. 2002-12-10 US disclosed
US-6380432-B2 AROMATIC DIAMINES USEFUL IN PREPARING POLYIMIDES ELSICON INC. 2002-04-30 US disclosed
EP-1155353-A1 MATERIALS FOR INDUCING ALIGNMENT OF LIQUID CRYSTALS AND LIQUID CRYSTAL OPTICAL ELEMENTS Elsicon Inc. (US) 2001-11-21 EP disclosed
US-20010039361-A1 Materials for inducing alignment in liquid crystal and liquid crystal displays GIBBONS WAYNE M (US) 2001-11-08 US disclosed
US-6313348-B1 LIQUID CRYSTAL GIBBONS WAYNE M (US) 2001-11-06 US disclosed
US-6268460-B1 POLYIMIDES, POLYAMIC ACID AND ESTER COPOLYMERS GIBBONS WAYNE M (US) 2001-07-31 US disclosed
US-6242061-B1 POLYAMIC ACIDS, POLYIMIDES ELSICON INC. 2001-06-05 US disclosed
US-6194039-B1 POLYIMIDES, POLYAMIC ACIDS ELSICON, INC. 2001-02-27 US disclosed
US-6143380-A POLYIMIDES ELSICON INC. (US) 2000-11-07 US disclosed
US-6103322-A POLYAMIC ACID ELSICON INC. (US) 2000-08-15 US disclosed
WO-2000039633-A1 MATERIALS FOR INDUCING ALIGNMENT OF LIQUID CRYSTALS AND LIQUID CRYSTAL OPTICAL ELEMENTS ELSICON, INC. (US) 2000-07-06 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-20010039361-A1 Materials for inducing alignment in liquid crystal and liquid crystal displays DYNC1LI1, DYNC1LI2, DYNLL1 ALDH1A1 1492/4885MAPK1 430/4885MAPT 1644/4885

“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.