SCHEMBL18235035

SCHEMBL18235035

Cc1coc2c(CO)cccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.44
▸ GLA P06280 1/20 0.43
▸ STING1 Q86WV6 1/20 0.43
▸ CES1 P23141 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.37
▸ ALOX15 P16050 3/20 0.36
▸ ALOX12 P18054 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ PFKFB3 Q16875 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ CES2 O00748 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ EED O75530 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PTPN6 P29350 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PTPN11 Q06124 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
SCHEMBL18235038 0.84 KCNA2 (0.42) MAOBGLASTING1CES1KDM4E
SCHEMBL18235040 0.84 MAPT (0.40) GLASTING1CES1KDM4EPOLB
SCHEMBL18235041 0.82 KDM4E (0.43) MAOBGLASTING1CES1KDM4E
SCHEMBL11616224 0.80 MAOB (0.56) MAOBGLASTING1CES1ALOX15
SCHEMBL28576970 0.78 ALOX15 (0.60) MAOBKDM4EALOX15ALOX12SMN1; SMN2
SCHEMBL30903607 0.78 ALOX15 (0.60) MAOBKDM4EALOX15ALOX12SMN1; SMN2
SCHEMBL18222932 0.76 MAOB (0.44) MAOBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11538924 0.76 CES1 (0.42) MAOBCES1ALOX15ALOX12POLB
SCHEMBL7052889 0.75 MAOB (0.45) MAOBGLASTING1CES1KDM4E
SCHEMBL31556208 0.75 MAOB (0.45) MAOBGLASTING1CES1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718799-B2 3-aryl-4H-chromene-4-ones as antineoplastic agents for the treatment of cancer UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-08-01 — — US disclosed
US-20160332981-A1 3-ARYL-4H-CHROMENE-4-ONES AS ANTINEOPLASTIC AGENTS FOR THE TREATMENT OF CANCER UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2016-11-17 — — 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 (1 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-20160332981-A1 3-ARYL-4H-CHROMENE-4-ONES AS ANTINEOPLASTIC AGENTS FOR THE TREATMENT OF CANCER KLK3, NCOA3, CYP46A1 MAOB 1324/4885GLA 1511/4885STING1 4752/4885

“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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