SCHEMBL309617

SCHEMBL309617

Cc1ccc(OCC(C)C)c(CC(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
MAPT P10636 4/20 0.61
GPR55 Q9Y2T6 2/20 0.61
THRB P10828 1/20 0.61
GAA P10253 2/20 0.46
HIF1A Q16665 1/20 0.41
POLB P06746 2/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
FOS P01100 1/20 0.38
JUN P05412 1/20 0.38
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
KDM1A O60341 1/20 0.37
ABCB1 P08183 1/20 0.37
PTGER1 P34995 1/20 0.36
TLR8 Q9NR97 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL22235519 0.86 ALDH1A1 (0.50) ALDH1A1MAPTGPR55THRBGAA
SCHEMBL29498829 0.86 ALDH1A1 (0.50) ALDH1A1MAPTGPR55THRBGAA
SCHEMBL27453036 0.81 ACHE (0.52) ALDH1A1GAA
SCHEMBL13607201 0.81 ALDH1A1 (0.61) ALDH1A1MAPTGPR55THRBGAA
SCHEMBL3032643 0.79 ALDH1A1 (0.54) ALDH1A1MAPTGPR55THRBGAA
SCHEMBL22916183 0.79 ALDH1A1 (0.55) ALDH1A1MAPTGPR55THRBGAA
SCHEMBL13499940 0.76 NPSR1 (0.57) ALDH1A1MAPTGPR55THRBGAA
SCHEMBL20969213 0.76 ACHE (0.61) ALDH1A1MAPTGPR55THRBGAA
SCHEMBL11963340 0.76 ACHE (0.61) ALDH1A1MAPTGPR55THRBGAA
SCHEMBL12121013 0.76 ALDH1A1 (0.51) ALDH1A1MAPTGPR55THRBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124635-B2 Antimicrobial composition useful for preserving wood ROHM AND HAAS COMPANY (US) 2012-02-28 US disclosed
US-8119670-B2 Antimicrobial composition useful for preserving wood ROHM AND HAAS COMPANY (US) 2012-02-21 US disclosed
US-8093277-B2 Antimicrobial composition useful for preserving wood ROHM AND HAAS COMPANY (US) 2012-01-10 US disclosed
US-8058298-B2 Antimicrobial composition useful for preserving wood ROHM AND HAAS COMPANY (US) 2011-11-15 US disclosed
US-20110190362-A1 ANTIMICROBIAL COMPOSITION USEFUL FOR PRESERVING WOOD DDP SPECIALTY ELECTRONIC MATERIALS US 8, LLC 2011-08-04 US disclosed
US-20110190359-A1 ANTIMICROBIAL COMPOSITION USEFUL FOR PRESERVING WOOD DDP SPECIALTY ELECTRONIC MATERIALS US 8, LLC 2011-08-04 US disclosed
US-20110190357-A1 ANTIMICROBIAL COMPOSITION USEFUL FOR PRESERVING WOOD DDP SPECIALTY ELECTRONIC MATERIALS US 8, LLC 2011-08-04 US disclosed
US-20110190358-A1 ANTIMICROBIAL COMPOSITION USEFUL FOR PRESERVING WOOD NUTRITION & BIOSCIENCES USA 2, LLC 2011-08-04 US disclosed
US-7951792-B2 synergistic mixture contains monoethanolamine complex of copper oxide and tebuconazole, and 4,5-dichloro-2-n-octyl-4-isothiazolin-3-one; microbiocides ROHM AND HAAS COMPANY (US) 2011-05-31 US disclosed
EP-2227959-A1 Antimicrobial composition useful for preserving wood Rohm and Haas Company (US) 2010-09-15 EP disclosed
US-20100210461-A1 Compositions comprising alcohol alkoxylates, and use of the alcohol alkoxylates as adjuvant for the agrochemical sector BASF SE (DE) 2010-08-19 US disclosed
US-20060287288-A1 Antimicrobial composition useful for preserving wood DDP SPECIALTY ELECTRONIC MATERIALS US 8, LLC 2006-12-21 US disclosed
EP-1733616-A2 Antimicrobial composition useful for preserving wood Rohm and Haas Company (US) 2006-12-20 EP 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-20100210461-A1 Compositions comprising alcohol alkoxylates, and use of the alcohol alkoxylates as adjuvant for the agrochemical sector ACOX3, PAOX, HAO2 ALDH1A1 983/4885MAPT 3986/4885GPR55 1269/4885

“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.