SCHEMBL5637487

SCHEMBL5637487

C=CCN(C)CC=CCOc1ccc2c(c1)CCCN2C(=O)Oc1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
LSS P48449 2/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NR3C1 P04150 1/20 0.40
NOTUM Q6P988 1/20 0.40
TSHR P16473 3/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL5637484 1.00 HSD17B10 (0.47) HSD17B10LSSKMT2AMEN1PDK1
SCHEMBL5639022 0.93 LSS (0.45) HSD17B10LSSKMT2AMEN1PDK1
SCHEMBL5639015 0.93 LSS (0.45) HSD17B10LSSKMT2AMEN1PDK1
SCHEMBL5638238 0.93 KDM4E (0.45) HSD17B10LSSKMT2AMEN1PDK1
SCHEMBL5638240 0.93 KDM4E (0.45) HSD17B10LSSKMT2AMEN1PDK1
SCHEMBL5637745 0.92 LSS (0.44) HSD17B10LSSPDK1PDK2PDK3
SCHEMBL5635410 0.92 LSS (0.56) HSD17B10LSSKMT2AMEN1PDK1
SCHEMBL5635414 0.92 LSS (0.56) HSD17B10LSSKMT2AMEN1PDK1
SCHEMBL5637742 0.92 LSS (0.44) HSD17B10LSSPDK1PDK2PDK3
SCHEMBL5639229 0.92 LSS (0.44) HSD17B10LSSKMT2AMEN1PDK1

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
US-7102007-B2 Dihydroindole and tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-09-05 US disclosed
EP-1358162-B1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP disclosed
US-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives AEBI JOHANNES (CH) 2005-01-27 US disclosed
US-6706751-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS HOFFMAN-LA ROCHE INC. 2004-03-16 US disclosed
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 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-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 HSD17B10 21/4885LSS 2/4885KMT2A 2451/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 HSD17B10 21/4885LSS 2/4885KMT2A 2451/4885

“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.