SCHEMBL18917438

SCHEMBL18917438

O=C(O)c1cccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.69
▸ CYCS P99999 4/20 0.69
▸ KDM4E B2RXH2 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ STAT3 P40763 1/20 0.50
▸ STAT1 P42224 1/20 0.50
▸ KMO O15229 1/20 0.49
▸ ENPP2 Q13822 1/20 0.48
▸ GPR35 Q9HC97 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ MAP2K4 P45985 1/20 0.47
▸ MAPKAPK3 Q16644 1/20 0.47
▸ MAPK6 Q16659 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL30493187 0.97 TOP1 (0.68) TOP1CYCSKDM4ENPC1ALDH1A1
SCHEMBL25395955 0.97 TOP1 (0.68) TOP1CYCSKDM4ENPC1ALDH1A1
SCHEMBL28479053 0.96 CYCS (0.67) TOP1CYCSKDM4ENPC1ALDH1A1
SCHEMBL28499238 0.96 CYCS (0.67) TOP1CYCSKDM4ENPC1ALDH1A1
SCHEMBL28498162 0.96 CYCS (0.67) TOP1CYCSKDM4ENPC1ALDH1A1
SCHEMBL28500846 0.96 CYCS (0.67) TOP1CYCSKDM4ENPC1ALDH1A1
SCHEMBL8187838 0.92 CYCS (0.63) TOP1CYCSKDM4ENPC1ALDH1A1
SCHEMBL30999674 0.90 CYCS (0.80) TOP1CYCSKDM4ENPC1ALDH1A1
SCHEMBL26089781 0.89 CYCS (0.78) TOP1CYCSKDM4ENPC1ALDH1A1
SCHEMBL25394852 0.87 TOP1 (0.91) TOP1CYCSKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779124-B Gold porphyrin-PEG conjugates and methods of use 香港大学 2022-03-01 — — CN disclosed
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 TOP1 715/4885CYCS 343/4885KDM4E 4181/4885
US-20170157261-A1 GOLD PORPHYRIN-PEG CONJUGATES AND METHODS OF USE HCCS, PPOX, LIG3 TOP1 715/4885CYCS 343/4885KDM4E 4181/4885

“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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