SCHEMBL5174689

SCHEMBL5174689

CCC(Sc1ccccc1)Sc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MGLL Q99685 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PAX8 Q06710 1/20 0.38
HTT P42858 1/20 0.37
KCNH2 Q12809 1/20 0.36
TP53 P04637 1/20 0.36
SLC6A4 P31645 1/20 0.35

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
SCHEMBL14123914 0.88 SMN1; SMN2 (0.39) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL2687200 0.81 SMN1; SMN2 (0.40) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL6845929 0.80 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL1453904 0.78 L3MBTL1 (0.45) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL27944941 0.78 MAPT (0.41) ALDH1A1L3MBTL1GAAMAPK1LMNA
SCHEMBL9601062 0.76 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL7975341 0.76 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL12112006 0.76 TSHR (0.44) ALDH1A1L3MBTL1KDM4EGAAMAPK1
SCHEMBL28808736 0.76 MEN1 (0.38) L3MBTL1GAASMN1; SMN2MAOAMAOB
SCHEMBL10455674 0.76 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799638-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-06-27 EP claimed
WO-2006034966-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-04-06 WO claimed
US-20230183164-A1 Synthesis of Vinyl Cyclobutyl Intermediates AMGEN INC. (US) 2023-06-15 US disclosed
WO-2021226009-A1 SYNTHESIS OF VINYL CYCLOBUTYL INTERMEDIATES AMGEN INC. (US) 2021-11-11 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-20230183164-A1 Synthesis of Vinyl Cyclobutyl Intermediates MCL1, BCL2A1, BAK1 ALDH1A1 2468/4885L3MBTL1 1932/4885KDM4E 3197/4885

“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.