SCHEMBL4912908

SCHEMBL4912908

Oc1cn(Oc2ccccc2)cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.33
NR1H2 P55055 1/20 0.33
BAX Q07812 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
SRC P12931 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
ALOX15 P16050 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KCNA3 P22001 1/20 0.31
TSHR P16473 1/20 0.31
TBXAS1 P24557 1/20 0.31
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL4914471 0.68 LTA4H (0.40) LTA4HNR1H2BAXCYP2C19TDP1
SCHEMBL27798756 0.65 NPC1 (0.44) SRCNPC1RAB9ANLRP3
SCHEMBL4909958 0.65 ALOX15 (0.37) LTA4HNR1H2BAXCYP2C9CYP2C19
SCHEMBL6013270 0.65 LTA4H (0.43) LTA4HNR1H2BAXTDP1ALDH1A1
SCHEMBL4912561 0.64 MAOA (0.39) LTA4HCYP2C9CYP2C19ALDH1A1NPC1
SCHEMBL3817790 0.64 TBXAS1 (0.47) LTA4HTDP1ALOX15TSHRTBXAS1
SCHEMBL4908039 0.63 MAPT (0.33) LTA4HNR1H2BAXCYP2C9CYP2C19
SCHEMBL28098973 0.61 HPGDS (0.51) CYP2C9CYP2C19SRCNPC1RAB9A
SCHEMBL4914844 0.60 MAOA (0.40) LTA4HTDP1NPC1RAB9AHSD17B10
SCHEMBL7171239 0.56 LTA4H (0.43) LTA4HKCNA3TSHRCA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US claimed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US claimed
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US disclosed
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-04-24 US disclosed
EP-1781241-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US disclosed
WO-2006026488-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO 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-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, NOX5 LTA4H 1217/4885NR1H2 2506/4885BAX 1932/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 LTA4H 1217/4885NR1H2 2506/4885BAX 1932/4885

“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.