SCHEMBL11114046

SCHEMBL11114046

O=C1CC2(CCCC2)Oc2cc(O)ccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 3/20 0.63
ATM Q13315 3/20 0.55
HTT P42858 1/20 0.55
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
HTR2C P28335 1/20 0.50
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.48
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 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
SCHEMBL1933585 0.98 KDM4E (0.61) KDM4EALDH1A1ATMHTTCA1
SCHEMBL619664 0.97 KDM4E (0.63) KDM4EALDH1A1ATMHTTCA1
SCHEMBL3953983 0.88 KDM4E (0.60) KDM4EALDH1A1ATMHTTCA1
SCHEMBL11111608 0.88 KDM4E (0.68) KDM4EALDH1A1ATMHTTKMT2A
SCHEMBL9444261 0.86 KDM4E (0.69) KDM4EALDH1A1ATMHTTKMT2A
SCHEMBL619914 0.84 KDM4E (0.64) KDM4EALDH1A1ATMHTTKMT2A
SCHEMBL11107269 0.81 KDM4E (0.56) KDM4EALDH1A1ATMHTTMAOB
SCHEMBL7609327 0.81 KDM4E (0.56) KDM4EALDH1A1ATMHTTCA1
SCHEMBL4352974 0.80 KDM4E (0.57) KDM4EALDH1A1ATMHTTMAOB
SCHEMBL11112095 0.80 KDM4E (0.57) KDM4EALDH1A1ATMHTTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120814-B2 Compounds with embedded benzopyran motif for core structures and preparation method thereof SNU R&DB FOUNDATION (KR) 2015-09-01 US disclosed
US-9120814-B2 Compounds with embedded benzopyran motif for core structures and preparation method thereof SNU R&DB FOUNDATION (KR) 2015-09-01 US disclosed
WO-2014146553-A1 FLAVONOID DERIVATIVES AND USE THEREOF 江苏恩华药业股份有限公司 (CN) 2014-09-25 WO disclosed
US-20090326015-A1 COMPOUNDS WITH EMBEDDED BENZOPYRAN MOTIF FOR CORE STRUCTURES AND PREPARATION METHOD THEREOF SNU R&DB FOUNDATION (KR) 2009-12-31 US disclosed
US-20090326015-A1 COMPOUNDS WITH EMBEDDED BENZOPYRAN MOTIF FOR CORE STRUCTURES AND PREPARATION METHOD THEREOF SNU R&DB FOUNDATION (KR) 2009-12-31 US disclosed
WO-2008072801-A1 COMPOUNDS WITH EMBEDDED BENZOPYRAN MOTIF FOR CORE STRUCTURES AND PREPARATION METHOD THEREOF SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-06-19 WO disclosed
US-4479007-A Chroman-4-ones and process for preparing same BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed
US-4415741-A REACTING O-HYDROXYACETOPHENONE AND CYCLOPENTANONE BAYER AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
US-4185112-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-01-22 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-20090326015-A1 COMPOUNDS WITH EMBEDDED BENZOPYRAN MOTIF FOR CORE STRUCTURES AND PREPARATION METHOD THEREOF BCR, HCCS, YBX3 KDM4E 1630/4885ALDH1A1 3186/4885ATM 1855/4885

“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.