SCHEMBL4419972

SCHEMBL4419972

Cc1cc2cc3cc(C)oc3cc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.45
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
NQO1 P15559 1/20 0.39
CYP3A4 P08684 3/20 0.37
CYP1A1 P04798 2/20 0.37
MAPK1 P28482 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
PTPN1 P18031 1/20 0.36
ACHE P22303 1/20 0.36
RAB9A P51151 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
MAPT P10636 3/20 0.34
PTGS1 P23219 3/20 0.33

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
SCHEMBL25165205 0.92 DYRK1A (0.44) DYRK1ACA1CA9NQO1CYP3A4
SCHEMBL9961317 0.91 DYRK1A (0.47) DYRK1ACA1CA9NQO1CYP3A4
SCHEMBL21166585 0.85 DYRK1A (0.40) DYRK1ACA1CA9NQO1CYP3A4
SCHEMBL12965880 0.84 NPC1 (0.58) DYRK1ACA1CA9NQO1CYP3A4
SCHEMBL862531 0.83 DYRK1A (0.42) DYRK1ACA1CA9NQO1CYP3A4
SCHEMBL18177588 0.83 PIM1 (0.44) DYRK1ACA1CA9NQO1CYP3A4
SCHEMBL14232239 0.83 DYRK1A (0.43) DYRK1ACA1CA9CYP3A4HPGD
SCHEMBL4419299 0.82 CYP3A4 (0.56) DYRK1ACYP3A4CYP1A1MAPK1ADORA3
SCHEMBL17090707 0.82 DYRK1A (0.36) DYRK1ACA1CA9CYP3A4CYP1A1
SCHEMBL11194490 0.81 GAA (0.64) CA1CA9CYP3A4MAPK1HPGD

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 56 patents — showing the first 20. 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-12043749-B2 Method for producing ink composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-23 US disclosed
US-12043749-B2 Method for producing ink composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-23 US disclosed
US-11917839-B2 High signal-to-noise ratio photoelectric conversion element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-02-27 US disclosed
US-11917839-B2 High signal-to-noise ratio photoelectric conversion element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-02-27 US disclosed
US-20240023422-A1 COMPOSITION, FILM, ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTODETECTION ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-18 US disclosed
US-20240023422-A1 COMPOSITION, FILM, ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTODETECTION ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-18 US disclosed
US-11877459-B2 Light detecting element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-16 US disclosed
US-11877459-B2 Light detecting element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-16 US disclosed
US-20230363184-A1 PHOTOELECTRIC CONVERSION ELEMENT AND METHOD FOR MANUFACTURING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-11-09 US disclosed
US-9139569-B2 Fused tricyclic aryl compounds useful for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2015-09-22 US disclosed
US-20120251491-A1 FUSED TRICYCLIC ARYL COMPOUNDS USEFUL FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2012-10-04 US disclosed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP 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 (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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 DYRK1A 2218/4885CA1 1514/4885CA9 1092/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 DYRK1A 2218/4885CA1 1514/4885CA9 1092/4885
US-20120251491-A1 FUSED TRICYCLIC ARYL COMPOUNDS USEFUL FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, ZC3HAV1, AADAC DYRK1A 4764/4885CA1 4877/4885CA9 3996/4885

“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.