SCHEMBL5696399

SCHEMBL5696399

C=CCNC(COC(=O)C=C)(NCC=C)NCC=C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 8/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.39
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.31
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30

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
SCHEMBL3990182 0.76 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
Hydrochloric Acid SCHEMBL316957 0.74 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL101492 0.72 ALDH1A1 (0.78) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL20011617 0.71 ALDH1A1 (0.69) ALDH1A1TP53HIF1ACYP3A4MAPK1
Sulfuric Acid SCHEMBL8717714 0.70 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL8966159 0.70 ALDH1A1 (0.61) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL10672628 0.70 ALDH1A1 (0.61) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14845064 0.70 ALDH1A1 (0.61) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9329709 0.70 ALDH1A1 (0.61) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL16974945 0.70 ALDH1A1 (0.61) ALDH1A1TP53HIF1ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155156-A Mixed with oil; flocculants for papermaking, oil recovery, sewage treatment SCANLEY CLYDE S (US) 1992-10-13 US claimed
EP-1663139-A1 CONDITIONING COMPOSITION COMPRISING CATIONIC CROSSLINKED THICKENING POLYMER AND NONIONIC SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 2006-06-07 EP disclosed
US-20050002892-A1 Conditioning composition comprising cationic crosslinked thickening polymer and nonionic surfactant THE PROCTER & GAMBLE COMPANY 2005-01-06 US disclosed
WO-2004108101-A1 CONDITIONING COMPOSITION COMPRISING CATIONIC CROSSLINKED THICKENING POLYMER AND NONIONIC SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 2004-12-16 WO disclosed
WO-2004035016-A1 CONDITIONING COMPOSITION COMPRISING CATIONIC CROSSLINKED POLYMER THE PROCTER & GAMBLE COMPANY (US) 2004-04-29 WO disclosed
US-5250586-A Dispersing particles in oil immiscible with polymer, then converting first dispersion to a second dispersion, the second having a lower content of surfactant than the first SCANLEY CLYDE S (US) 1993-10-05 US disclosed
US-5155156-A Mixed with oil; flocculants for papermaking, oil recovery, sewage treatment SCANLEY CLYDE S (US) 1992-10-13 US 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-20050002892-A1 Conditioning composition comprising cationic crosslinked thickening polymer and nonionic surfactant CUTA, PCNA, DSG1 ALDH1A1 3715/4885TP53 1369/4885HIF1A 2313/4885

“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.