SCHEMBL11922795

SCHEMBL11922795

C/C=C(\C)CNCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.41
ADH1B P00325 2/20 0.41
ADH1C P00326 2/20 0.41
ADH1A P07327 2/20 0.41
ADH7 P40394 2/20 0.41
EPHX1 P07099 3/20 0.34
ADH4 P08319 1/20 0.34
PAOX Q6QHF9 1/20 0.34
S1PR2 O95136 5/20 0.32
S1PR4 O95977 5/20 0.32
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 5/20 0.32
S1PR5 Q9H228 1/20 0.32
ALOX15 P16050 1/20 0.32
DPP4 P27487 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
CA12 O43570 1/20 0.31

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
Hydrochloric Acid SCHEMBL22771764 0.98 TSHR (0.44) TSHRALDH1A1GAAADH1BADH1C
Hydrochloric Acid SCHEMBL22771763 0.98 TSHR (0.44) TSHRALDH1A1GAAADH1BADH1C
Hydrochloric Acid SCHEMBL22575392 0.91 TSHR (0.50) TSHRALDH1A1GAAADH1BADH1C
SCHEMBL16925447 0.91 TSHR (0.50) TSHRALDH1A1ADH1BADH1CADH1A
Hydrochloric Acid SCHEMBL22771675 0.91 TSHR (0.50) TSHRALDH1A1GAAADH1BADH1C
SCHEMBL28546181 0.85
Hydrochloric Acid SCHEMBL22771647 0.83 PAOX (0.35) ADH1BADH1AADH7PAOX
Hydrochloric Acid SCHEMBL22771648 0.83 PAOX (0.35) ADH1BADH1AADH7PAOX
SCHEMBL20820746 0.79 PAOX (0.41) EPHX1PAOXS1PR2S1PR4S1PR1
SCHEMBL20327886 0.79 PAOX (0.36) EPHX1PAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236965-B2 Benzimidazole derivatives and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-08-07 US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 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-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R TSHR 64/4885ALDH1A1 2294/4885GAA 893/4885

“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.