SCHEMBL22752013

SCHEMBL22752013

CCCC(C)C(=O)O/C=C/c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NPC1 O15118 2/20 0.40
GLA P06280 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 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
SCHEMBL23996151 0.88 MEN1 (0.42) MEN1KMT2ACTDSP1ALDH1A1KDM4E
SCHEMBL27689592 0.88 MEN1 (0.42) MEN1KMT2ACTDSP1ALDH1A1KDM4E
SCHEMBL28378861 0.88 MEN1 (0.42) MEN1KMT2ACTDSP1ALDH1A1KDM4E
SCHEMBL27589474 0.81 CYP2C19 (0.41) MEN1KMT2ACTDSP1ALDH1A1KDM4E
SCHEMBL10882018 0.81 MMP1 (0.46) ALDH1A1NPC1SMN1; SMN2TDP1PPARG
SCHEMBL27665248 0.80 TDP1 (0.46) ALDH1A1NPC1GLALMNARAB9A
SCHEMBL14504434 0.80 TDP1 (0.46) ALDH1A1NPC1GLALMNARAB9A
SCHEMBL14827292 0.79 MAPT (0.44) CTDSP1L3MBTL1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL27783809 0.79 TDP1 (0.44) ALDH1A1NPC1GLALMNARAB9A
SCHEMBL6510327 0.78 HTR2A (0.43) ALDH1A1GLALMNASMN1; SMN2CYP1A2

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-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2020-12-08 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-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK MEN1 4783/4885KMT2A 1750/4885CTDSP1 859/4885

“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.