SCHEMBL2292995

SCHEMBL2292995

CC(C)(C)c1ccc(Br)c(CBr)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.42
CYP2C19 P33261 5/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2C9 P11712 2/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
TSHR P16473 2/20 0.34
NPC1 O15118 2/20 0.33

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
SCHEMBL135004 0.86 KLF10 (0.36) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL2288353 0.84 PDE2A (0.34) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL30558280 0.83 CYP1A2 (0.44) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL1320175 0.83 CYP1A2 (0.44) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL11542336 0.83 CYP2D6 (0.42) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL8762233 0.83 CYP2C19 (0.47) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL31012297 0.83 CYP2C19 (0.47) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL27012358 0.80 CYP2D6 (0.40) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL29382636 0.79 IDO1 (0.41) CYP2D6MAPTTSHRNPSR1
SCHEMBL475304 0.79 IDO1 (0.41) CYP2D6MAPTTSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535640-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-12-27 US disclosed
EP-3658564-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
US-20200207794-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-07-02 US disclosed
WO-2019020538-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-01-31 WO disclosed
EP-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
US-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 EP 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-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 CYP2D6 445/4885CYP2C19 578/4885CYP1A2 216/4885
US-20200207794-A1 METAL COMPLEXES IMMT, MCU, SOD1 CYP2D6 2919/4885CYP2C19 3844/4885CYP1A2 2957/4885
US-11535640-B2 Metal complexes IMMT, MCU, SOD1 CYP2D6 2919/4885CYP2C19 3844/4885CYP1A2 2957/4885

“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.