SCHEMBL5807693

SCHEMBL5807693

Cc1cc(O)n(-c2cc(Cl)ccc2Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 3/20 0.48
ESR1 P03372 1/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
OPRM1 P35372 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
NOTUM Q6P988 1/20 0.40
THRB P10828 1/20 0.40
TP53 P04637 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
GAA P10253 1/20 0.40
NTRK1 P04629 1/20 0.39

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
SCHEMBL11435978 0.87 LMNA (0.51) L3MBTL1OPRM1NPC1ALDH1A1LMNA
SCHEMBL28171784 0.83 KDM4E (0.51) HTTL3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL4917405 0.81 KDM4E (0.50) KDM4EOPRM1NPC1POLBALDH1A1
SCHEMBL11334891 0.80 CYP1A2 (0.49) HTTL3MBTL1KDM4EJAK2JAK1
SCHEMBL13070263 0.79 ALDH1A1 (0.42) HTTL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL10707004 0.77 POLB (0.60) HTTKDM4ENPC1POLBALDH1A1
SCHEMBL15428601 0.77 HTT (0.52) HTTL3MBTL1KDM4EJAK2JAK1
SCHEMBL31522200 0.75 ALDH1A1 (0.58) HTTKDM4EESR1JAK2JAK1
SCHEMBL31522201 0.75 ALDH1A1 (0.58) HTTKDM4EESR1JAK2JAK1
SCHEMBL13902297 0.75 ALDH1A1 (0.50) HTTL3MBTL1KDM4EPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985266-B2 Keratin dyeing compositions comprising a radical scavenger and a chelant and use thereof THE PROCTER & GAMBLE COMPANY (US) 2011-07-26 US disclosed
US-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof NOXELL CORPORATION 2011-02-17 US disclosed
WO-2006091023-A1 ANTIBACTERIAL ACID DYES CONTAINING SILVER AND METHOD OF PREPARING THE SAME AND ANTIBACTERIAL FIBER THEREBY KOLON INDUSTRIES, INC (KR) 2006-08-31 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 (1 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-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof KRT18, LPO, KRTCAP2 HTT 1138/4885L3MBTL1 4255/4885KDM4E 509/4885

“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.