SCHEMBL16748078

SCHEMBL16748078

COc1ccc2c3c(oc(=O)c2c1)-c1ccccc1C3=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.52
▸ KDM4E B2RXH2 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ POLB P06746 2/20 0.52
▸ STAT1 P42224 1/20 0.52
▸ LMNA P02545 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ C1R P00736 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ESR2 Q92731 2/20 0.45
▸ TERT O14746 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ ESR1 P03372 1/20 0.44

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
SCHEMBL1308703 0.83 MEN1 (0.51) MAPTKDM4ERAB9AALDH1A1NPC1
SCHEMBL1308829 0.78 NTRK1 (0.46) MAPTKDM4ERAB9AALDH1A1NPC1
SCHEMBL16312481 0.75 TDP1 (0.45) TERTTDP1
SCHEMBL29853560 0.75 KDM4E (0.79) MAPTKDM4ERAB9AALDH1A1NPC1
SCHEMBL26767762 0.75 KDM4E (0.79) MAPTKDM4ERAB9AALDH1A1NPC1
SCHEMBL14147750 0.74 PTPRC (0.50) MAPTKDM4ERAB9AALDH1A1MEN1
SCHEMBL28721954 0.73 ALDH1A1 (0.55) MAPTKDM4ERAB9AALDH1A1NPC1
SCHEMBL29511516 0.73 ALDH1A1 (0.55) MAPTKDM4ERAB9AALDH1A1NPC1
SCHEMBL7570047 0.72 TERT (0.47) MAPTKDM4ERAB9AALDH1A1NPC1
SCHEMBL26768169 0.72 MAPT (0.79) MAPTKDM4ERAB9AALDH1A1NPC1

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
US-9682990-B2 Alcohol-, diol-, and carbohydrate-substituted indenoisoquinolines as topoisomerase I inhibitors PURDUE RESEARCH FOUNDATION (US) 2017-06-20 — — US disclosed
US-20160318946-A1 ALCOHOL-, DIOL-, AND CARBOHYDRATE-SUBSTITUTED INDENOISOQUINOLINES AS TOPOISOMERASE I INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-03 — — US disclosed
US-9328073-B2 Alcohol-, diol-, and carbohydrate-substituted indenoisoquinolines as topoisomerase I inhibitors PURDUE RESEARCH FOUNDATION (US) 2016-05-03 — — US disclosed
US-20150148370-A1 ALCOHOL-, DIOL-, AND CARBOHYDRATE-SUBSTITUTED INDENOISOQUINOLINES AS TOPOISOMERASE I INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2015-05-28 — — 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-20160318946-A1 ALCOHOL-, DIOL-, AND CARBOHYDRATE-SUBSTITUTED INDENOISOQUINOLINES AS TOPOISOMERASE I INHIBITORS TOP1, TOP2A, TOP2B MAPT 2900/4885KDM4E 1131/4885RAB9A 2294/4885
US-20150148370-A1 ALCOHOL-, DIOL-, AND CARBOHYDRATE-SUBSTITUTED INDENOISOQUINOLINES AS TOPOISOMERASE I INHIBITORS TOP1, TOP2A, TOP2B MAPT 2900/4885KDM4E 1131/4885RAB9A 2294/4885

“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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