SCHEMBL3036408

SCHEMBL3036408

[CH2]CCCCCCCCCSC#N

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL3029615 1.00
SCHEMBL3037629 0.97
SCHEMBL210421 0.89
SCHEMBL8762182 0.86 ALDH1A1 (0.47) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL7135015 0.86 ALDH1A1 (0.47) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL7110766 0.86 ALDH1A1 (0.47) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL7140484 0.86 ALDH1A1 (0.47) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL6577600 0.86 ALDH1A1 (0.47) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL6579911 0.86 ALDH1A1 (0.47) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL9001565 0.83 ALDH1A1 (0.50) ALDH3A1ALDH1A1TP53HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233916-A Long carbon chain sulfur-containing silane coupling agent, and preparation method and application thereof 南京曙光精细化工有限公司 2020-06-05 CN 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

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 ALDH3A1 1239/4885ALDH1A1 1571/4885TP53 3729/4885

“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.