SCHEMBL104899

SCHEMBL104899

CC(C)c1ccc2occc(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.53
▸ MAOA P21397 8/20 0.48
▸ MAOB P27338 8/20 0.48
▸ FTO Q9C0B1 2/20 0.48
▸ ACHE P22303 1/20 0.47
▸ DYRK1A Q13627 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ SIGMAR1 Q99720 4/20 0.43
▸ TBK1 Q9UHD2 1/20 0.41

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
SCHEMBL24904309 0.86 FTO (0.56) PTPN1MAOAMAOBFTOACHE
SCHEMBL11557718 0.83 MAOB (0.44) MAOAMAOBFTOACHEDYRK1A
SCHEMBL127099 0.81 PTPN1 (0.43) PTPN1MAOAMAOBFTOACHE
SCHEMBL13310593 0.76 TNKS (0.50) PTPN1MAOBKDM4ETBK1
SCHEMBL932337 0.76 MAOA (0.59) MAOAMAOBFTOACHEDYRK1A
SCHEMBL23334899 0.75 TNKS (0.49) PTPN1ACHEKDM4ETBK1
Ethane SCHEMBL27840767 0.74 MAOA (0.55) PTPN1MAOAMAOBFTOACHE
SCHEMBL12386894 0.73 FTO (0.50) MAOAMAOBFTOKDM4ESIGMAR1
SCHEMBL365385 0.73 MAOA (0.58) PTPN1MAOAMAOBFTOACHE
SCHEMBL2607415 0.73 HTR1B (0.49) PTPN1DYRK1AKDM4E

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-106316999-B A kind of preparation method and application of two ketoximes derivatives of benzofuran -2,3- 江苏强盛功能化学股份有限公司 2019-01-08 — — CN disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 — — US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 — — US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 — — 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 PTPN1 1597/4885MAOA 1717/4885MAOB 2855/4885
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 PTPN1 3983/4885MAOA 804/4885MAOB 339/4885

“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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