SCHEMBL21472953

SCHEMBL21472953

CC(=O)c1ccc(C#CC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 2/20 0.50
ACACB O00763 1/20 0.44
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HSD17B1 P14061 1/20 0.41
PGR P06401 1/20 0.40
GAA P10253 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 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
SCHEMBL10411946 0.87 ACACB (0.49) MAPTALDH1A1ACACBHPGDL3MBTL1
SCHEMBL16345667 0.82 RARB (0.52) ALDH1A1ACACBSMN1; SMN2CA1CA2
SCHEMBL16377529 0.80 CA1 (0.39) MAPTALDH1A1HPGDRAB9AKMT2A
SCHEMBL15960259 0.80 RARB (0.55) MAPTALDH1A1ACACBHPGDL3MBTL1
SCHEMBL16340844 0.79 HDAC2 (0.50) ACACBHPGDKMT2ASMN1; SMN2CA2
SCHEMBL25834998 0.79 GSK3B (0.44) ACACBKMT2ASMN1; SMN2GAACA1
SCHEMBL163209 0.79 ALDH1A1 (0.72) MAPTALDH1A1HPGDL3MBTL1RAB9A
SCHEMBL6292237 0.78 APP (0.38) MAPTALDH1A1CA2
SCHEMBL12285264 0.77 FFAR1 (0.44) MAPTALDH1A1ACACBHPGDL3MBTL1
SCHEMBL10001336 0.77 ACACB (0.47) MAPTALDH1A1ACACBHPGDL3MBTL1

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
US-20210077571-A1 TARGETED AMATOXIN CONJUGATE FOR THE TREATMENT OF SOLID TUMORS HEIDELBERG PHARMA RESEARCH GMBH (DE) 2021-03-18 US disclosed
WO-2019197654-A1 TARGETED AMATOXIN CONJUGATE FOR THE TREATMENT OF SOLID TUMORS HEIDELBERG PHARMA RESEARCH GMBH (DE) 2019-10-17 WO 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-20210077571-A1 TARGETED AMATOXIN CONJUGATE FOR THE TREATMENT OF SOLID TUMORS C3AR1, ANTXR2, C5AR2 MAPT 4621/4885ALDH1A1 4043/4885ACACB 4870/4885

“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.