SCHEMBL12171193

SCHEMBL12171193

CC(=O)Oc1c(O)cc2cccc(OC(C)=O)c(=O)c2c1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.68
▸ GAA P10253 4/20 0.68
▸ KDM4E B2RXH2 3/20 0.68
▸ ALDH1A1 P00352 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ L3MBTL1 Q9Y468 3/20 0.68
▸ POLB P06746 2/20 0.68
▸ APEX1 P27695 2/20 0.68
▸ RECQL P46063 2/20 0.68
▸ BLM P54132 2/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ CREB1 P16220 1/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ INPPL1 O15357 1/20 0.45
▸ NSD2 O96028 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ THRB P10828 1/20 0.45

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
SCHEMBL15560234 0.90 MAPT (0.79) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL15887547 0.89 MAPT (0.63) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL12171250 0.81 MAPT (1.00) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL17069803 0.80 MAPT (0.63) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL15555870 0.77 MAPT (0.59) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL12171171 0.76 MAPT (0.58) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL14370739 0.76 MAPT (0.79) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL12171206 0.76 MAPT (0.87) MAPTGAAKDM4EALDH1A1KMT2A
Triacetoxyanthrene SCHEMBL9119527 0.76 ALDH1A1 (0.65) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL14370772 0.74 MAPT (0.63) MAPTGAAKDM4EALDH1A1KMT2A

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 2924/4885GAA 2903/4885KDM4E 1981/4885
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 2953/4885GAA 2930/4885KDM4E 1869/4885

“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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