SCHEMBL4535161

SCHEMBL4535161

CCc1c(C(C)=O)ccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.51
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 2/20 0.46
WDR5 P61964 1/20 0.46
MAOB P27338 1/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
LDHA P00338 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL4170309 0.86 WDR5 (0.59) NCEH1ALDH1A1HPGDWDR5HSD17B10
SCHEMBL8580920 0.84 ALDH1A1 (0.45) NCEH1ALDH1A1HPGDMAPTWDR5
SCHEMBL25799004 0.84 NCEH1 (0.50) NCEH1ALDH1A1HPGDMAPTWDR5
SCHEMBL11594011 0.84 NCEH1 (0.50) NCEH1ALDH1A1HPGDMAPTWDR5
SCHEMBL21569594 0.83 NCEH1 (0.56) NCEH1ALDH1A1HPGDMAPTWDR5
SCHEMBL4664908 0.83 ALDH1A1 (0.63) ALDH1A1HPGDMAPTWDR5MAOB
SCHEMBL5039147 0.82 NCEH1 (0.44) NCEH1ALDH1A1HPGDMAPTWDR5
SCHEMBL15636146 0.81 LMNA (0.50) ALDH1A1HPGDMAPTWDR5HSD17B10
SCHEMBL11802841 0.80 NCEH1 (0.50) NCEH1ALDH1A1HPGDMAPTWDR5
SCHEMBL28006860 0.80 CDC25B (0.60) NCEH1ALDH1A1HPGDMAOBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116917450-A Treatment composition comprising plant rosin material 宝洁公司 2023-10-20 CN disclosed
US-9884830-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-02-06 US disclosed
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-24 US disclosed
US-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-12 US disclosed
US-20090131299-A1 3-Methylbenzyl-Isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-05-21 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 (3 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-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC NCEH1 3000/4885ALDH1A1 4455/4885HPGD 3373/4885
US-20090131299-A1 3-Methylbenzyl-Isobutyrate ABAT, GABRB3, GABBR1 NCEH1 1253/4885ALDH1A1 141/4885HPGD 2203/4885
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC NCEH1 3000/4885ALDH1A1 4455/4885HPGD 3373/4885

“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.