SCHEMBL12171250

SCHEMBL12171250

CC(=O)Oc1cc2cccc(OC(C)=O)c(=O)c2c(OC(C)=O)c1OC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ KMT2A Q03164 4/20 1.00
▸ KDM4E B2RXH2 3/20 1.00
▸ APEX1 P27695 2/20 1.00
▸ RECQL P46063 2/20 1.00
▸ BLM P54132 2/20 1.00
▸ TDP1 Q9NUW8 2/20 1.00
▸ GAA P10253 2/20 1.00
▸ L3MBTL1 Q9Y468 2/20 1.00
▸ POLB P06746 1/20 1.00
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MAPK1 P28482 2/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TOP1 P11387 3/20 0.43
▸ ADORA2A P29274 4/20 0.43

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
SCHEMBL12171206 0.93 MAPT (0.87) MAPTALDH1A1KMT2AKDM4EAPEX1
SCHEMBL15560234 0.88 MAPT (0.79) MAPTALDH1A1KMT2AKDM4EAPEX1
SCHEMBL17069804 0.88 MAPT (0.79) MAPTALDH1A1KMT2AKDM4EAPEX1
SCHEMBL14370739 0.88 MAPT (0.79) MAPTALDH1A1KMT2AKDM4EAPEX1
SCHEMBL12171193 0.81 MAPT (0.68) MAPTALDH1A1KMT2AKDM4EAPEX1
Triacetoxyanthrene SCHEMBL9119527 0.79 ALDH1A1 (0.65) MAPTALDH1A1KMT2AKDM4EAPEX1
SCHEMBL15887547 0.78 MAPT (0.63) MAPTALDH1A1KMT2AKDM4EAPEX1
SCHEMBL17069803 0.77 MAPT (0.63) MAPTALDH1A1KMT2AKDM4EAPEX1
SCHEMBL14370772 0.77 MAPT (0.63) MAPTALDH1A1KMT2AKDM4EAPEX1
SCHEMBL29350633 0.77 MAPK1 (0.62) MAPTALDH1A1KMT2AKDM4EAPEX1

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 17 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-9517993-B2 Antagonists of the toll-like receptor 1/2 complex THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2016-12-13 — — US disclosed
US-9517993-B2 Antagonists of the toll-like receptor 1/2 complex THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2016-12-13 — — US disclosed
US-9517993-B2 Antagonists of the toll-like receptor 1/2 complex THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2016-12-13 — — 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-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 — — US disclosed
US-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 — — US disclosed
US-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 — — US disclosed
EP-2879669-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX The Regents of The University of Colorado, A Body Corporate (US) 2015-06-10 — — EP 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
WO-2014022287-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-02-06 — — WO disclosed
WO-2014022287-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-02-06 — — WO 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 (3 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
US-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX TLR2, TLR1, TLR3 MAPT 2900/4885ALDH1A1 4195/4885KMT2A 2587/4885
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 2953/4885ALDH1A1 2862/4885KMT2A 3226/4885

“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.

Send feedback