SCHEMBL12782255

SCHEMBL12782255

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ INPPL1 O15357 1/20 0.45
▸ NSD2 O96028 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ PABPC1 P11940 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ PLCG1 P19174 1/20 0.45
▸ TNNI3 P19429 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
SCHEMBL12171173 0.90 MAPT (0.33) MAPTMEN1ALDH1A1KMT2AGAA
SCHEMBL15887744 0.74 MAPT (0.55) MAPTMEN1ALDH1A1KMT2AGAA
SCHEMBL10181911 0.74 CA12 (0.35) MAPTALDH1A1
SCHEMBL12782256 0.70 PTPN11 (0.47) MAPTMEN1ALDH1A1KMT2AGAA
Purpurogallin SCHEMBL1950656 0.69 CDK2 (0.76) MAPTMEN1ALDH1A1KMT2AGAA
SCHEMBL12782604 0.68 CDK2 (0.55) MAPTMEN1ALDH1A1KMT2AGAA
SCHEMBL17071994 0.68 MEN1 (0.59) MAPTMEN1ALDH1A1KMT2AGAA
SCHEMBL14284015 0.66 PTGS2 (0.41) MAPTALDH1A1KMT2AKDM4ECYP3A4
SCHEMBL12610629 0.64 LMNA (0.44) MAPTALDH1A1GAAKDM4EPOLB
Purpurogallin SCHEMBL29481120 0.64 CDK2 (1.00) MAPTMEN1ALDH1A1KMT2AGAA

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-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-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
WO-2011048011-A2 BENZOTROPOLONE DERIVATIVES AS ANTIMICROBIAL AGENTS BASF SE (DE) 2011-04-28 — — WO 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-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 2953/4885MEN1 3594/4885ALDH1A1 2862/4885

“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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