SCHEMBL17344792

SCHEMBL17344792

CC(C)C1=C(C(C)C)Oc2ccccc2CN1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
OXTR P30559 1/20 0.37
HTR5A P47898 2/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 2/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL19651518 0.80 GAA (0.46) GAANPSR1MAOAMAOBOXTR
SCHEMBL17344772 0.77 ALOX15 (0.34) GAANPSR1MAOAMAOBOXTR
SCHEMBL17344762 0.75 GAA (0.41) GAANPSR1MEN1MAPTKMT2A
SCHEMBL17344796 0.68 CA12 (0.47) GAANPSR1HTR5AKMT2ACA12
SCHEMBL16306319 0.68 GAA (0.56) GAANPSR1MAOAMAOBOXTR
SCHEMBL1368071 0.67 GAA (1.00) GAANPSR1MAOAMAOBOXTR
SCHEMBL11195016 0.67 GAA (0.60) GAANPSR1MAOAMAOBOXTR
SCHEMBL147262 0.67 GAA (0.60) GAANPSR1MAOAMAOBOXTR
Hydrochloric Acid SCHEMBL11181597 0.66 GAA (0.58) GAANPSR1MAOAMAOBOXTR
SCHEMBL12558458 0.63 GAA (0.50) GAANPSR1MAOAMAOBOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 2728/4885NPSR1 3491/4885MAOA 2827/4885

“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.