SCHEMBL7199206

SCHEMBL7199206

CC(C)C/C=C/NC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
ASF1A Q9Y294 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 2/20 0.41
HDAC3 O15379 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
IDO1 P14902 1/20 0.41
ALOX15 P16050 1/20 0.41
HDAC1 Q13547 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL4741279 0.83 ASF1A (0.51) RAB9ANPC1ASF1ASMN1; SMN2GAA
SCHEMBL17188462 0.81 RAB9A (0.58) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL6551872 0.81 RAB9A (0.58) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL6551341 0.79 NPC1 (0.56) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL27889880 0.79 NPC1 (0.59) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL8011295 0.79 ASF1A (0.48) RAB9ANPC1ASF1ASMN1; SMN2GAA
SCHEMBL29256044 0.79 ASF1A (0.51) RAB9ANPC1ASF1ASMN1; SMN2GAA
SCHEMBL29256043 0.79 ASF1A (0.51) RAB9ANPC1ASF1ASMN1; SMN2GAA
SCHEMBL5604600 0.79 CYP1A2 (0.58) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL6075048 0.79 CYP1A2 (0.58) RAB9ANPC1SMN1; SMN2GAAALDH1A1

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-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 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-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 RAB9A 3411/4885NPC1 4536/4885ASF1A 250/4885

“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.