SCHEMBL17348453

SCHEMBL17348453

C/C1=C(\C)OCc2ccccc2CN1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSD17B3 P37058 2/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
HTR5A P47898 2/20 0.33
OXTR P30559 1/20 0.33
PNMT P11086 1/20 0.32
CD44 P16070 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 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
SCHEMBL17348448 0.77 ALOX15 (0.35) ALOX15HSD17B10MAOBMAOAGAA
SCHEMBL16306319 0.73 GAA (0.56) ALOX15HSD17B10MAOBMAOAGAA
SCHEMBL17349230 0.73 NPC1 (0.38) MAOBMAOAGAAHTR5AKMT2A
SCHEMBL20364329 0.72 MAOB (0.47) ALOX15HSD17B10HSD17B3MAOBMAOA
SCHEMBL14084320 0.71 GAA (0.63) ALOX15HSD17B10HSD17B3MAOBMAOA
SCHEMBL22702757 0.69 MAOA (0.58) HSD17B10MAOBMAOAGAAHTR5A
SCHEMBL17344772 0.68 ALOX15 (0.34) ALOX15HSD17B10HSD17B3MAOBMAOA
SCHEMBL21508269 0.65 CA12 (0.52) ALOX15HSD17B10GAANPSR1CA12
SCHEMBL29580106 0.65 OXTR (0.67) HSD17B3MAOBMAOAGAANPSR1
SCHEMBL14084321 0.63 GAA (0.63) ALOX15HSD17B10HSD17B3MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2952503-B1 CARBOXYLIC ACID DERIVATIVES AS HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2019-10-23 EP disclosed
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 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-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA ALOX15 3858/4885HSD17B10 2053/4885HSD17B3 2572/4885

“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.