SCHEMBL16610057

SCHEMBL16610057

CC(=O)Oc1cc(C)ccc1C(=O)Oc1ccc(CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.55
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOB P27338 1/20 0.41
CFD P00746 1/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL18020602 0.90 PTGS2 (0.53) PTGS2LMNAKDM4EKMT2AALDH1A1
SCHEMBL16599395 0.89 PTGS2 (0.55) PTGS2CYP4F2CYP4A11LMNAKDM4E
SCHEMBL16599463 0.88 PTGS2 (0.51) PTGS2LMNAKDM4EKMT2AALDH1A1
SCHEMBL4965041 0.82 PTGS2 (0.60) PTGS2CYP4F2CYP4A11LMNAKDM4E
SCHEMBL17986190 0.82 PTGS2 (0.46) PTGS2LMNAKDM4EKMT2AALDH1A1
SCHEMBL4134586 0.82 PTGS2 (0.80) PTGS2CYP4F2CYP4A11LMNAKDM4E
SCHEMBL16610070 0.80 PTGS2 (0.44) PTGS2LMNAKDM4EKMT2AALDH1A1
SCHEMBL18020601 0.80 PTGS2 (0.53) PTGS2LMNAKDM4EKMT2ACYP1A2
SCHEMBL12536688 0.80 KMT2A (0.57) PTGS2CYP4F2CYP4A11LMNAKDM4E
SCHEMBL18020585 0.78 MAPT (0.47) PTGS2CYP4F2CYP4A11LMNAKDM4E

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 PTGS2 514/4885CYP4F2 2846/4885CYP4A11 1080/4885
US-10793509-B2 Compounds useful in the treatment of neoplastic diseases APC, BRCA1, VHL PTGS2 514/4885CYP4F2 2846/4885CYP4A11 1080/4885

“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.