SCHEMBL737515

SCHEMBL737515

CC(O[Si](C)(C)C(C)(C)C)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
TSHR P16473 2/20 0.33
TTR P02766 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
THRB P10828 1/20 0.31
KIF11 P52732 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
HTR1A P08908 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
SCHEMBL737164 0.82 APLNR (0.31)
SCHEMBL2500684 0.74 ESR1 (0.46) HSD17B10CYP1A2TTRCYP3A4LMNA
SCHEMBL23192881 0.72 DHFR (0.44) CYP2C19SLC6A2SLC6A4OPRK1SLC6A3
SCHEMBL14265092 0.70
SCHEMBL9185287 0.69 ADRA2B (0.38) ALDH1A1SLC6A4ADRA1AOPRK1SLC6A3
SCHEMBL24738609 0.69 APLNR (0.30)
SCHEMBL18357981 0.68
SCHEMBL9602856 0.68 CYP3A4 (0.36) CYP2C19CYP3A4KIF11SLC6A2SLC6A4
SCHEMBL18056394 0.68 CA2 (0.37) TSHR
SCHEMBL9338170 0.68 ALDH1A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138340-B2 Bicyclononene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-20 US disclosed
EP-1786814-B1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2010-03-31 EP disclosed
US-20090306123-A1 Bicyclononene derivaties ACTELION PHARMACEUTICALS LTD. (CH) 2009-12-10 US disclosed
US-20090088457-A1 Primary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2009-04-02 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 (2 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-20090088457-A1 Primary Amines as Renin Inhibitors REN, ACE, AGTR1 HSD17B10 2500/4885CYP1A2 386/4885CYP2C9 393/4885
US-20090306123-A1 Bicyclononene derivaties REN, ACE, CYP51A1 HSD17B10 133/4885CYP1A2 61/4885CYP2C9 54/4885

“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.