SCHEMBL3884685

SCHEMBL3884685

OCCn1c2ccccc2c2cc(O)cc(O)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40
FABP4 P15090 2/20 0.39
FABP5 Q01469 2/20 0.39
FABP3 P05413 1/20 0.39
KDM4E B2RXH2 4/20 0.39
BACE1 P56817 2/20 0.39
CHEK1 O14757 1/20 0.38
WEE1 P30291 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ABCB1 P08183 2/20 0.37

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
SCHEMBL3878043 0.85 MAPT (0.44) MAPTPOLBATMMEN1KMT2A
SCHEMBL3884395 0.85 MAPT (0.47) MAPTPOLBATMMEN1KMT2A
SCHEMBL3881064 0.83 GAA (0.37) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL3882393 0.78 POLB (0.46) MAPTPOLBATMMEN1KMT2A
SCHEMBL149177 0.77 MEN1 (0.63) MAPTPOLBATMMEN1KMT2A
SCHEMBL30039386 0.77 MEN1 (0.63) MAPTPOLBATMMEN1KMT2A
SCHEMBL29749478 0.77 MEN1 (0.63) MAPTPOLBATMMEN1KMT2A
SCHEMBL3885361 0.77 GPR3 (0.52) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL3873949 0.76 SRC (0.50) MAPTPOLBATMMEN1KMT2A
SCHEMBL3875130 0.76 POLB (0.52) 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.