SCHEMBL12171191

SCHEMBL12171191

CCOC1(C)Oc2cc3cccc(OC(C)=O)c(=O)c3c(O)c2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ADORA2A P29274 4/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TMIGD3 P0DMS9 3/20 0.32
▸ TYMS P04818 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31

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
SCHEMBL15887744 0.90 MAPT (0.55) MAPTKDM4EPOLBALDH1A1GAA
SCHEMBL12782255 0.85 MAPT (0.45) MAPTKDM4EPOLBALDH1A1GAA
SCHEMBL12171192 0.84 MAPT (0.48) MAPTKDM4EPOLBALDH1A1GAA
SCHEMBL12171173 0.84 MAPT (0.33) MAPTKDM4EPOLBALDH1A1GAA
SCHEMBL12171201 0.72 PTPN11 (0.36) MAPTKDM4EPOLBALDH1A1GAA
SCHEMBL17328220 0.71 MAPT (0.55) MAPTKDM4EPOLBALDH1A1GAA
SCHEMBL15887547 0.71 MAPT (0.63) MAPTKDM4EPOLBALDH1A1GAA
SCHEMBL15560234 0.70 MAPT (0.79) MAPTKDM4EPOLBALDH1A1GAA
SCHEMBL12171193 0.69 MAPT (0.68) MAPTKDM4EPOLBALDH1A1GAA
SCHEMBL17328013 0.67 MAPT (0.48) MAPTKDM4EPOLBALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663442-B2 Stabilization of household, body-care and food products by using benzotropolone containing plant extracts and/or related benzotropolone derivatives BASF SE (DE) 2017-05-30 — — US disclosed
US-9663442-B2 Stabilization of household, body-care and food products by using benzotropolone containing plant extracts and/or related benzotropolone derivatives BASF SE (DE) 2017-05-30 — — US disclosed
US-20150353470-A1 STABILIZATION OF HOUSEHOLD, BODY-CARE AND FOOD PRODUCTS BY USING BENZOTROPOLONE CONTAINING PLANT EXTRACTS AND/OR RELATED BENZOTROPOLONE DERIVATIVES BASF SE (DE) 2015-12-10 — — US disclosed
US-20150353470-A1 STABILIZATION OF HOUSEHOLD, BODY-CARE AND FOOD PRODUCTS BY USING BENZOTROPOLONE CONTAINING PLANT EXTRACTS AND/OR RELATED BENZOTROPOLONE DERIVATIVES BASF SE (DE) 2015-12-10 — — US disclosed
US-8784853-B2 Stabilization of household, body-care and food products by using benzotropolone containing plant extracts and/or related benzotropolone derivatives BASF SE (DE) 2014-07-22 — — US disclosed
US-8784853-B2 Stabilization of household, body-care and food products by using benzotropolone containing plant extracts and/or related benzotropolone derivatives BASF SE (DE) 2014-07-22 — — US disclosed
US-20120230925-A1 STABILIZATION OF HOUSEHOLD, BODY-CARE AND FOOD PRODUCTS BY USING BENZOTROPOLONE CONTAINING PLANT EXTRACTS AND/OR RELATED BENZOTROPOLONE DERIVATIVES BASF SE (DE) 2012-09-13 — — US disclosed
US-20120230925-A1 STABILIZATION OF HOUSEHOLD, BODY-CARE AND FOOD PRODUCTS BY USING BENZOTROPOLONE CONTAINING PLANT EXTRACTS AND/OR RELATED BENZOTROPOLONE DERIVATIVES BASF SE (DE) 2012-09-13 — — 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-20120230925-A1 STABILIZATION OF HOUSEHOLD, BODY-CARE AND FOOD PRODUCTS BY USING BENZOTROPOLONE CONTAINING PLANT EXTRACTS AND/OR RELATED BENZOTROPOLONE DERIVATIVES CBR3, CBR1, CYP8B1 MAPT 2924/4885KDM4E 1981/4885POLB 1639/4885
US-20150353470-A1 STABILIZATION OF HOUSEHOLD, BODY-CARE AND FOOD PRODUCTS BY USING BENZOTROPOLONE CONTAINING PLANT EXTRACTS AND/OR RELATED BENZOTROPOLONE DERIVATIVES CBR3, CBR1, CYP8B1 MAPT 2953/4885KDM4E 1869/4885POLB 1621/4885

“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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