SCHEMBL12171192

SCHEMBL12171192

C=C(C)Oc1cccc2cc3c(c(OC(C)=O)c2c1=O)OC(C)(OCC)O3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ADORA2A P29274 4/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TYMS P04818 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 0.94 MAPT (0.55) MAPTALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL12171191 0.84 MAPT (0.46) MAPTALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL17328013 0.83 MAPT (0.48) MAPTALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL17328220 0.77 MAPT (0.55) MAPTALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL12171206 0.73 MAPT (0.87) MAPTALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL12171173 0.70 MAPT (0.33) MAPTALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL12171201 0.67 PTPN11 (0.36) MAPTALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL12171250 0.67 MAPT (1.00) MAPTALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL12610524 0.64 ALDH1A1 (0.38) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL15560234 0.63 MAPT (0.79) MAPTALDH1A1KMT2AL3MBTL1KDM4E

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-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

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-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 2924/4885ALDH1A1 2680/4885KMT2A 3133/4885

“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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