SCHEMBL3878043

SCHEMBL3878043

Nc1cc(O)cc2c3ccccc3n(CCO)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FABP4 P15090 3/20 0.39
FABP5 Q01469 3/20 0.39
CHEK1 O14757 2/20 0.39
WEE1 P30291 2/20 0.39
GAA P10253 1/20 0.38
ABCB1 P08183 3/20 0.38

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
SCHEMBL3885447 0.87 KDM4E (0.45) MAPTPOLBATMMEN1KMT2A
SCHEMBL27673099 0.86 MAPT (0.40) MAPTPOLBATMMEN1KMT2A
SCHEMBL3884685 0.85 MAPT (0.46) MAPTPOLBATMMEN1KMT2A
SCHEMBL3879159 0.84 GAA (0.36) KDM4EALDH1A1CHEK1WEE1GAA
SCHEMBL27673101 0.82 MAPT (0.40) MAPTPOLBATMMEN1KMT2A
SCHEMBL3880601 0.79 POLB (0.44) MAPTPOLBATMMEN1KMT2A
SCHEMBL3884395 0.79 MAPT (0.47) MAPTPOLBATMMEN1KMT2A
SCHEMBL3874064 0.78 GPR3 (0.48) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3876547 0.78 MAPT (0.45) MAPTPOLBATMMEN1KMT2A
SCHEMBL27653145 0.77 KDM4E (0.40) MAPTPOLBATMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (2 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 MAPT 420/4885POLB 796/4885ATM 2776/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MAPT 420/4885POLB 796/4885ATM 2776/4885

“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.