SCHEMBL4429156

SCHEMBL4429156

Cc1cc2ccc3cc(C)[nH]c3c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2A6 P11509 3/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ GAA P10253 5/20 0.41
▸ HMBS P08397 1/20 0.40
▸ AXL P30530 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP1A2 P05177 3/20 0.36
▸ LMNA P02545 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ NPY5R Q15761 1/20 0.32
▸ DAO P14920 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
SCHEMBL16892342 0.87 KDM4E (0.48) KDM4ESMN1; SMN2HTTALDH1A1HPGD
SCHEMBL12930250 0.87 KDM4E (0.42) KDM4ESMN1; SMN2HTTALDH1A1HPGD
SCHEMBL4419322 0.84 PIM3 (0.41) KDM4ESMN1; SMN2HTTALDH1A1HPGD
SCHEMBL21983724 0.83 KDM4E (0.44) KDM4ESMN1; SMN2HTTALDH1A1HPGD
SCHEMBL15045615 0.81 ALDH1A1 (0.42) KDM4ESMN1; SMN2HTTALDH1A1HPGD
SCHEMBL7915531 0.79 ALDH1A1 (0.66) KDM4ESMN1; SMN2HTTALDH1A1HPGD
SCHEMBL15045557 0.79 CYP2A6 (0.45) KDM4ESMN1; SMN2HTTALDH1A1HPGD
SCHEMBL15045445 0.79 KEAP1 (0.47) KDM4ESMN1; SMN2HTTALDH1A1HPGD
SCHEMBL15045563 0.78 CCR1 (0.54) KDM4ESMN1; SMN2HTTALDH1A1HPGD
SCHEMBL13561660 0.78 CYP1A2 (0.46) KDM4ESMN1; SMN2HTTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 — — US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 — — US claimed
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 — — US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 — — US disclosed
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 — — US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 — — US disclosed
EP-2523243-A1 Membrane-electrode assembly and fuel battery using the same Sumitomo Chemical Company, Limited (JP) 2012-11-14 — — EP disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 — — US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 — — US disclosed
US-20100086823-A1 MEMBRANE-ELECTRODE ASSEMBLY AND FUEL BATTERY USING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 — — US disclosed
US-20100086823-A1 MEMBRANE-ELECTRODE ASSEMBLY AND FUEL BATTERY USING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 — — US disclosed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 — — EP disclosed
US-20090318681-A1 METAL COMPLEX, AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2009-12-24 — — US disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 — — US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 — — US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 — — US disclosed
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 — — EP disclosed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 — — WO disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 — — 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 (6 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 KDM4E 1418/4885SMN1; SMN2 4828/4885HTT 2703/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 KDM4E 1418/4885SMN1; SMN2 4828/4885HTT 2703/4885
US-20110284799-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 KDM4E 3816/4885SMN1; SMN2 3736/4885HTT 1979/4885
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 KDM4E 2635/4885SMN1; SMN2 1324/4885HTT 511/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L KDM4E 2910/4885SMN1; SMN2 957/4885HTT 728/4885
US-20090318681-A1 METAL COMPLEX, AND USE THEREOF MT-CO1, CYC1, ACAD9 KDM4E 4791/4885SMN1; SMN2 2372/4885HTT 3904/4885

“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