SCHEMBL16610058

SCHEMBL16610058

O=C(Oc1ccc(CO)cc1)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
KMT2A Q03164 4/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
HPGD P15428 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
PTGS2 P35354 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSP90AA1 P07900 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
PTPN1 P18031 1/20 0.45

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
SCHEMBL18020598 0.88 KMT2A (0.57) NPC1KMT2APOLBGAAKDM4E
SCHEMBL15580586 0.84 KMT2A (0.54) NPC1KMT2APOLBGAAKDM4E
SCHEMBL2462911 0.84 KDM4E (0.71) NPC1KMT2APOLBGAAKDM4E
SCHEMBL29290132 0.81 KMT2A (0.60) NPC1KMT2APOLBGAAKDM4E
SCHEMBL28813458 0.81 CACNA1B (0.59) NPC1KMT2APOLBGAAKDM4E
SCHEMBL17986146 0.80 KMT2A (0.52) NPC1KMT2APOLBGAAKDM4E
SCHEMBL17424467 0.78 HPGD (0.63) NPC1KMT2APOLBGAAKDM4E
SCHEMBL8367791 0.77 KMT2A (0.78) KMT2APOLBGAAKDM4EMAPT
SCHEMBL16610051 0.77 KMT2A (0.46) NPC1KMT2APOLBGAAKDM4E
SCHEMBL16171213 0.76 NPC1 (0.63) NPC1KMT2APOLBGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049386-B9 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-11-18 EP disclosed
EP-3049386-B9 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-11-18 EP disclosed
US-10793509-B2 Compounds useful in the treatment of neoplastic diseases UNIVERSITÄT ZU KOLN (DE) 2020-10-06 US disclosed
US-10793509-B2 Compounds useful in the treatment of neoplastic diseases UNIVERSITÄT ZU KOLN (DE) 2020-10-06 US disclosed
EP-3049386-B1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-07-22 EP disclosed
EP-3049386-B1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-07-22 EP disclosed
US-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2016-08-18 US disclosed
US-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2016-08-18 US disclosed
US-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2016-08-18 US disclosed
WO-2015044177-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2015-04-02 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 (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-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES APC, BRCA1, VHL NPC1 794/4885KMT2A 3041/4885POLB 185/4885
US-10793509-B2 Compounds useful in the treatment of neoplastic diseases APC, BRCA1, VHL NPC1 794/4885KMT2A 3041/4885POLB 185/4885

“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.