SCHEMBL23487540

SCHEMBL23487540

c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccc(-c4cc(-c5ccc6c(c5)oc5ccccc56)ccn4)cc3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
PRKDC P78527 2/20 0.40
AHR P35869 2/20 0.38
ASIC3 Q9UHC3 1/20 0.38
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
PIK3CA P42336 1/20 0.37
MAPT P10636 2/20 0.37
TGFBR1 P36897 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HCRTR1 O43613 1/20 0.36
SMO Q99835 2/20 0.36
PLA2G2A P14555 2/20 0.35
PLA2G4A P47712 2/20 0.35
PLA2G10 O15496 1/20 0.35
NPC1 O15118 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
SCHEMBL23956278 0.93 TGFBR1 (0.38) PRKDCAHRMAPTTGFBR1KDM4E
SCHEMBL25070217 0.86 AHR (0.37) PIM1PRKDCAHRMMP12MMP13
SCHEMBL23487542 0.84 PIK3CA (0.46) PIM1PRKDCASIC3PIK3CAMAPT
SCHEMBL21290227 0.82 MMP12 (0.40) MMP12MMP13MAPTTGFBR1HPGD
SCHEMBL23487709 0.82 ASIC3 (0.50) PIM1ASIC3PIK3CATGFBR1SMO
SCHEMBL25636990 0.81 PIM1 (0.41) PIM1PRKDCASIC3MMP12MMP13
SCHEMBL19794433 0.81 HSD17B1 (0.39) AHRMMP12MMP13MAPTKDM4E
SCHEMBL25835084 0.81 HCRTR1 (0.39) PIM1AHRMMP12MMP13MAPT
SCHEMBL22252283 0.80 AHR (0.52) PRKDCAHRMMP12MMP13MAPT
SCHEMBL16405897 0.80 PLA2G2A (0.45) PIM1PRKDCAHRMAPTKDM4E

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-20230056324-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
WO-2021110720-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-06-10 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-20230056324-A1 METAL COMPLEXES MCU, IMMT, SOD1 PIM1 1309/4885PRKDC 2501/4885AHR 3485/4885

“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.