SCHEMBL4393645

SCHEMBL4393645

Cc1cc(C)n(C)c(=O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GLA P06280 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATAD2 Q6PL18 1/20 0.34
LMNA P02545 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
BRPF1 P55201 1/20 0.33
NQO2 P16083 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32

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
Hydrochloric Acid SCHEMBL5487003 0.98 KDM4E (0.43) KDM4EL3MBTL1USP2ALDH1A1GLA
SCHEMBL21955382 0.76 KDM4E (0.42) KDM4EL3MBTL1USP2ALDH1A1GLA
SCHEMBL21977695 0.76 KDM4E (0.42) KDM4EL3MBTL1USP2ALDH1A1GLA
SCHEMBL11526426 0.76 KDM4E (0.42) KDM4EL3MBTL1USP2ALDH1A1GLA
SCHEMBL17980826 0.76 KDM4E (0.42) KDM4EL3MBTL1USP2ALDH1A1HPGD
SCHEMBL7091674 0.73 KDM4E (0.36) KDM4EUSP2HPGDLMNA
SCHEMBL13402642 0.73 KDM4E (0.37) KDM4EL3MBTL1USP2ALDH1A1HPGD
SCHEMBL22037773 0.73 PDE3B (0.43) KDM4EL3MBTL1ALDH1A1GLAHPGD
SCHEMBL22017507 0.73 KDM4E (0.40) KDM4EL3MBTL1USP2ALDH1A1GLA
SCHEMBL11534388 0.73 KDM4E (0.44) KDM4EL3MBTL1USP2ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 US disclosed
US-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2017-08-03 US disclosed
US-8927718-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-06 US disclosed
US-20120208794-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-16 US disclosed
US-20100081652-A1 Cinnamoyl Compound and Use Thereof SHIRAKI HIROAKI 2010-04-01 US disclosed
US-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS HENKEL AG & CO. KGAA (DE) 2009-12-10 US disclosed
US-20090143368-A1 Use of Cinnamoyl Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-04 US disclosed
CN-1761517-A Mixing device HENKEL KGAA (DE) 2006-04-19 CN 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 (8 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-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS ASS1, SRM, COL1A1 KDM4E 2179/4885L3MBTL1 2486/4885USP2 1734/4885
US-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS COLGALT1, MMP1, FIBP KDM4E 3121/4885L3MBTL1 867/4885USP2 2516/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM4E 2522/4885L3MBTL1 4861/4885USP2 2720/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM4E 2522/4885L3MBTL1 4861/4885USP2 2720/4885
US-20100081652-A1 Cinnamoyl Compound and Use Thereof COL2A1, MMP7, COL14A1 KDM4E 2703/4885L3MBTL1 3616/4885USP2 4343/4885
US-20120208794-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH KDM4E 405/4885L3MBTL1 2806/4885USP2 3931/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 KDM4E 2522/4885L3MBTL1 4861/4885USP2 2720/4885
US-20090143368-A1 Use of Cinnamoyl Compound COL2A1, COL1A1, SMAD2 KDM4E 1537/4885L3MBTL1 3349/4885USP2 3771/4885

“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.