SCHEMBL4419988

SCHEMBL4419988

c1cc2ccc3ccoc3c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.46
MAOB P27338 2/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
NFKB1 P19838 2/20 0.38
CYP1A2 P05177 3/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2A6 P11509 2/20 0.36
ACHE P22303 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
PDE4A P27815 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP2A13 Q16696 1/20 0.36
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL29591293 1.00 MAOA (0.46) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL10054249 0.84 MAOA (0.42) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL16319037 0.84 MAOA (0.57) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL12279132 0.82 MAOA (0.55) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL31238062 0.80 MAOA (0.63) MAOAMAOBNFKB1CYP1A2CYP1A1
SCHEMBL17086917 0.80 MAOA (0.48) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL7096111 0.76 MAOA (0.34) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL4430567 0.76 MAOA (0.41) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL4430659 0.76 MAOA (0.38) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL4419278 0.76 MAOA (0.38) MAOAMAOBHTR2AHTR2CHTR2B

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 16 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
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP claimed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
WO-2023100914-A1 METHOD FOR MANUFACTURING OLIGOFURAN SKELETON-CONTAINING POLYCARBOSILANE AND OLIGOFURAN SKELETON-CONTAINING POLYCARBOSILANE 国立大学法人群馬大学 2023-06-08 WO disclosed
WO-2023080042-A1 METHOD FOR PRODUCING OLIGOFURAN COMPOUND CONTAINING REACTIVE SILYL GROUP, AND OLIGOFURAN COMPOUND CONTAINING REACTIVE SILYL GROUP 国立大学法人群馬大学 2023-05-11 WO disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
US-20120021897-A1 RING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-20120021897-A1 RING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-26 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 MAOA 507/4885MAOB 1003/4885HTR2A 3963/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 MAOA 507/4885MAOB 1003/4885HTR2A 3963/4885
US-20120021897-A1 RING COMPOUND NR4A2, NR4A1, NR0B1 MAOA 768/4885MAOB 977/4885HTR2A 1719/4885

“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.