SCHEMBL20656173

SCHEMBL20656173

OCc1c(-c2ccccc2)sc2c(CO)c(-c3ccccc3)sc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALOX5 P09917 1/20 0.37
TSHR P16473 1/20 0.37
NOTUM Q6P988 1/20 0.36
TDO2 P48775 1/20 0.35
GRM6 O15303 3/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BACE1 P56817 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL20656180 0.80 GPR35 (0.38) ALDH1A1MAPTGAAMEN1LMNA
SCHEMBL10995611 0.75 ALDH1A1 (0.42) ALDH1A1MAPTGAAMEN1LMNA
SCHEMBL20656172 0.69 DPP4 (0.49) ALDH1A1MAPTGAAMEN1LMNA
SCHEMBL5663303 0.69 BACE1 (0.48) ALDH1A1KMT2AALOX5TSHRNOTUM
SCHEMBL12679970 0.69 GCGR (0.52) ALDH1A1MAPTLMNATSHRNOTUM
SCHEMBL31526131 0.68 NPC1 (0.46) ALDH1A1MAPTGAAALOX5HPGD
SCHEMBL16048783 0.68 GCGR (0.37) ALDH1A1MAPTMEN1KMT2AALOX5
SCHEMBL31526159 0.67 GCGR (0.40) ALDH1A1MAPTGAAMEN1LMNA
SCHEMBL28304213 0.67 MAPT (0.42) ALDH1A1MAPTGAALMNACYP1A2
SCHEMBL10320031 0.67 GCGR (0.50) ALDH1A1MAPTLMNATSHRNOTUM

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-20200165266-A1 RING CLOSURE REACTION FLEXENABLE LIMITED (GB) 2020-05-28 US disclosed
WO-2019011826-A1 RING CLOSURE REACTION MERCK PATENT GMBH (DE) 2019-01-17 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-20200165266-A1 RING CLOSURE REACTION LIG4, ATG7, RNF4 ALDH1A1 3947/4885MAPT 3523/4885GAA 2936/4885

“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.