SCHEMBL3874378

SCHEMBL3874378

Cn1c2ccccc2c2ccc(O)c(O)c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.55
FTO Q9C0B1 1/20 0.55
GPR3 P46089 1/20 0.54
HSP90AA1 P07900 1/20 0.47
IDO1 P14902 1/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 4/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.44
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SRC P12931 4/20 0.42
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41

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
SCHEMBL3876508 0.82 ALKBH5 (0.51) ALKBH5FTOGPR3HSP90AA1IDO1
SCHEMBL3883800 0.82 ALKBH5 (0.51) ALKBH5FTOGPR3HSP90AA1IDO1
SCHEMBL3423943 0.82 GPR3 (0.71) ALKBH5FTOGPR3HSP90AA1IDO1
SCHEMBL13564071 0.82 GPR3 (0.71) ALKBH5FTOGPR3HSP90AA1IDO1
SCHEMBL3876198 0.82 SRC (0.39) SRCPRKACAPRKACGPRKACB
SCHEMBL5964412 0.81 ALKBH5 (0.63) ALKBH5FTOGPR3HSP90AA1IDO1
SCHEMBL9090461 0.78 ALKBH5 (0.47) ALKBH5FTOGPR3HSP90AA1IDO1
SCHEMBL10824450 0.77 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL3873949 0.76 SRC (0.50) KDM4EALDH1A1CYP2C19MAPTKMT2A
SCHEMBL18416292 0.75 ALKBH5 (0.60) ALKBH5FTOGPR3HSP90AA1IDO1

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 ALKBH5 1118/4885FTO 2151/4885GPR3 4420/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALKBH5 1118/4885FTO 2151/4885GPR3 4420/4885

“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.