SCHEMBL1616161

SCHEMBL1616161

CCOC(=O)CC1CCC/C(=C\N(C)C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CCR6 P51684 3/20 0.36
HSP90AA1 P07900 2/20 0.36
KMT2A Q03164 4/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 3/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ESR1 P03372 1/20 0.34
TSHR P16473 1/20 0.34
NR4A1 P22736 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSD17B1 P14061 1/20 0.32
MITF O75030 1/20 0.32

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
SCHEMBL1616943 0.78 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1616945 0.78 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12949304 0.76 KMT2A (0.39) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1254599 0.75 CYP2D6 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL3662314 0.73 TLR4 (0.39) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1616228 0.72 ALDH1A1 (0.42) MAPTALDH1A1RAB9AKMT2APOLB
SCHEMBL1616229 0.72 ALDH1A1 (0.42) MAPTALDH1A1RAB9AKMT2APOLB
SCHEMBL1617059 0.72 AKR1C3 (0.38) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1617057 0.72 AKR1C3 (0.38) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL534241 0.71 CYP2D6 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A

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
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 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-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 MAPT 26/4885ALDH1A1 3574/4885SMN1; SMN2 2953/4885

“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.