SCHEMBL18917429

SCHEMBL18917429

CC(=O)Oc1c2nc(c(OC(C)=O)c3cc(-c4ccccc4)c([nH]3)c(OC(C)=O)c3nc(c(OC(C)=O)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.45
▸ ADORA3 P0DMS8 2/20 0.41
▸ ADORA2A P29274 2/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ NPC1 O15118 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TOP1 P11387 1/20 0.35
▸ CYCS P99999 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 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
SCHEMBL29467128 0.78 GAPDH (0.39) BACE1ADORA2ANPC1KDM4EMEN1
SCHEMBL18917431 0.71 TOP1 (0.51) PDE5ALMNATOP1CYCSGAA
SCHEMBL18917432 0.69 TOP1 (0.51) ADORA2ALMNAALDH1A1MAPTTOP1
SCHEMBL18917428 0.69 PDE5A (0.50) NPC1KDM4EMEN1RAB9AKMT2A
SCHEMBL7115560 0.68 TOP1 (0.53) TOP1CYCS
SCHEMBL3374968 0.68 ENPP2 (0.41) ADORA3ADORA2AADORA1MEN1KMT2A
Acetic Acid SCHEMBL9639956 0.67 TOP1 (0.67) TOP1CYCS
SCHEMBL9432570 0.66 TOP1 (0.47) TOP1CYCS
SCHEMBL7112999 0.66 TOP1 (0.47) TOP1CYCS
SCHEMBL8948212 0.66 TOP1 (0.47) TOP1CYCS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11135310-B2 Gold porphyrin-PEG conjugates and methods of use THE UNIVERSITY OF HONG KONG (HK) 2021-10-05 — — US disclosed
EP-3386986-B1 GOLD PORPHYRIN-PEG CONJUGATES AND METHODS OF USE UNIV HONG KONG (CN) 2021-07-21 — — EP disclosed
US-20170157261-A1 GOLD PORPHYRIN-PEG CONJUGATES AND METHODS OF USE THE UNIVERSITY OF HONG KONG (HK) 2017-06-08 — — 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 (2 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-11135310-B2 Gold porphyrin-PEG conjugates and methods of use HCCS, PPOX, LIG3 BACE1 4763/4885ADORA3 4129/4885ADORA2A 4691/4885
US-20170157261-A1 GOLD PORPHYRIN-PEG CONJUGATES AND METHODS OF USE HCCS, PPOX, LIG3 BACE1 4763/4885ADORA3 4129/4885ADORA2A 4691/4885

“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.

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