SCHEMBL736680

SCHEMBL736680

CC(O)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.61
ALOX15 P16050 2/20 0.61
ALOX12 P18054 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HIF1A Q16665 1/20 0.61
TSHR P16473 3/20 0.48
TTR P02766 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
RECQL P46063 1/20 0.48
THRB P10828 1/20 0.44
KIF11 P52732 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 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
SCHEMBL9812436 0.87 HSD17B10 (0.46) HSD17B10ALOX15ALOX12CYP1A2CYP2C9
SCHEMBL7786841 0.82 HSD17B10 (0.64) HSD17B10ALOX15ALOX12CYP1A2CYP2C9
SCHEMBL8950753 0.82 HSD17B10 (0.43) HSD17B10ALOX15ALOX12CYP1A2CYP2C9
SCHEMBL13801377 0.82 HSD17B10 (0.64) HSD17B10ALOX15ALOX12CYP1A2CYP2C9
SCHEMBL8229173 0.80 SMN1; SMN2 (0.37) HSD17B10ALOX15ALOX12CYP1A2CYP2C9
SCHEMBL12529998 0.80 SMN1; SMN2 (0.37) HSD17B10ALOX15ALOX12CYP1A2CYP2C9
SCHEMBL29290531 0.78 ADRB1 (0.50) HSD17B10ALOX15ALOX12CYP1A2CYP2C9
SCHEMBL4464101 0.76 HSD17B10 (0.70) HSD17B10ALOX15ALOX12CYP1A2CYP2C9
SCHEMBL1595467 0.76 HSD17B10 (1.00) HSD17B10ALOX15ALOX12CYP1A2CYP2C9
SCHEMBL11789449 0.75 TSHR (0.48) HSD17B10ALOX15ALOX12CYP1A2CYP2C19

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 2500/4885ALOX15 1570/4885ALOX12 2409/4885
US-20090306123-A1 Bicyclononene derivaties REN, ACE, CYP51A1 HSD17B10 133/4885ALOX15 896/4885ALOX12 1447/4885

“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.