SCHEMBL3021950

SCHEMBL3021950

CCOC(=O)C(C#N)=C(CC)CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
TSHR P16473 1/20 0.53
CYP2C9 P11712 1/20 0.46
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTP4A1 Q93096 1/20 0.40
MIF P14174 1/20 0.40
SOAT1 P35610 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL19382514 0.89 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C9MAPTMEN1
SCHEMBL19382363 0.87 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C9MAPTMEN1
SCHEMBL1754710 0.87 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C9MAPTMEN1
SCHEMBL2115865 0.87 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C9MAPTMEN1
SCHEMBL8600349 0.84 ALDH1A1 (0.50) ALDH1A1TSHRCYP2C9MAPTMEN1
SCHEMBL10396204 0.83 THRB (0.49) ALDH1A1TSHRCYP2C9MAPTMEN1
SCHEMBL4517991 0.82 ALDH1A1 (0.52) ALDH1A1TSHRCYP2C9MAPTMEN1
SCHEMBL4517988 0.82 ALDH1A1 (0.52) ALDH1A1TSHRCYP2C9MAPTMEN1
SCHEMBL16269710 0.82 ALDH1A1 (0.52) ALDH1A1TSHRCYP2C9MAPTMEN1
SCHEMBL8277427 0.82 ALDH1A1 (0.52) ALDH1A1TSHRCYP2C9MAPTMEN1

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
WO-2017158151-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2017-09-21 WO disclosed
US-8802713-B2 3-alkoxy-1-phenylpyrazole derivatives and pesticides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2014-08-12 US disclosed
EP-2202226-B1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2013-06-05 EP disclosed
US-20100210704-A1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVES AND PESTICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-19 US disclosed
EP-2202226-A1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVE AND PEST CONTROL AGENT Kumiai Chemical Industry CO., LTD. (JP) 2010-06-30 EP disclosed
US-20100025642-A1 ULTRAVIOLET ABSORBENT COMPOSITION FUJIFILM CORPORATION (JP) 2010-02-04 US disclosed
EP-0355353-B1 Cycloalkylthiazole derivatives HOFFMANN LA ROCHE (CH) 1994-03-16 EP disclosed
US-5001140-A Cycloalkylthiazoles HOFFMANN-LA ROCHE INC. (US) 1991-03-19 US disclosed
EP-0355353-A2 Cycloalkylthiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-02-28 EP 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-20100210704-A1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVES AND PESTICIDES HCN3, HCN4, KCNH3 ALDH1A1 1571/4885TSHR 422/4885CYP2C9 274/4885

“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.