SCHEMBL23768306

SCHEMBL23768306

C#CCCCCOC(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ALOX5 P09917 3/20 0.38
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 2/20 0.32

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
SCHEMBL14587440 0.85 MEN1 (0.41) USP2MAPTALDH1A1CYP3A4MEN1
SCHEMBL30921157 0.82 ALDH1A1 (0.39) USP2MAPTALDH1A1CYP3A4MEN1
SCHEMBL21137683 0.82 MEN1 (0.36) ALDH1A1CYP3A4MEN1KMT2ANAAA
SCHEMBL27982814 0.80 NAAA (0.44) ALDH1A1CYP3A4NAAA
SCHEMBL8421539 0.80 NAAA (0.44) ALDH1A1CYP3A4NAAA
SCHEMBL5383132 0.79 ALDH1A1 (0.52) USP2MAPTALDH1A1CYP3A4MEN1
SCHEMBL21224608 0.79 MAPT (0.46) USP2MAPTALDH1A1CYP3A4MEN1
SCHEMBL14775497 0.79 MAPT (0.46) USP2MAPTALDH1A1CYP3A4MEN1
SCHEMBL9480850 0.78 ALDH1A1 (0.40) ALDH1A1CYP3A4KMT2AHPGDNAAA
SCHEMBL8044631 0.78 ALDH1A1 (0.54) USP2MAPTALDH1A1CYP3A4MEN1

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-20210253611-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES WITH DIARYLPHOSPHINE LIGANDS CLARIANT INTERNATIONAL LTD (CH) 2021-08-19 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-20210253611-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES WITH DIARYLPHOSPHINE LIGANDS NPSR1, TACR1, HRH3 USP2 478/4885MAPT 3661/4885ALDH1A1 381/4885

“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.