SCHEMBL6335121

SCHEMBL6335121

CC[n+]1ccc(Cl)c2ccc(OC)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 5/20 0.36
POLB P06746 1/20 0.36
PPM1A P35813 3/20 0.36
ACHE P22303 4/20 0.35
KDM4E B2RXH2 7/20 0.34
ALDH1A1 P00352 5/20 0.34
HTT P42858 3/20 0.34
GAA P10253 3/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PRNP P04156 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
PPARG P37231 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL4625936 0.73 KDM4E (0.44) NPC1RAB9AMAPTPOLBKDM4E
SCHEMBL22034130 0.68 ACHE (0.68) NPC1RAB9AMAPTPOLBPPM1A
SCHEMBL4467529 0.68 ACHE (0.41) NPC1RAB9AMAPTPOLBPPM1A
SCHEMBL6744503 0.67 HSD17B10 (0.39) MAPTPOLBKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL6231073 0.67 ACHE (0.67) NPC1RAB9AMAPTPOLBPPM1A
Iodide SCHEMBL222931 0.67 ACHE (0.69) NPC1RAB9AMAPTPOLBPPM1A
SCHEMBL7168985 0.65 PTGER4 (0.41) NPC1RAB9AMAPTPOLBKDM4E
SCHEMBL12325069 0.63 HSP90AA1 (0.56) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL8749346 0.62 CYP1A2 (0.55) ACHE
SCHEMBL8340513 0.61 SLC6A4 (0.47) POLBKDM4EALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6977001-B2 Dye compositions containing quinolinium salts WELLA AG (DE) 2005-12-20 US claimed
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 US claimed
US-20030177592-A1 Dye compositions containing quinolinium salts HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-25 US claimed
US-6977001-B2 Dye compositions containing quinolinium salts WELLA AG (DE) 2005-12-20 US disclosed
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 US disclosed
US-20030177592-A1 Dye compositions containing quinolinium salts HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-25 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 (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-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof KRT18, COL2A1, PHB1 NPC1 4709/4885RAB9A 4719/4885MAPT 1389/4885

“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.