SCHEMBL1244592

SCHEMBL1244592

O=C1CCCC(C2CCCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.38
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 0.38
THRB P10828 1/20 0.37
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
ESR2 Q92731 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAPK1 P28482 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
SCHEMBL4866556 0.97 ALDH1A1 (0.41) ALDH1A1MAPTTRIM24TRIM33THRB
SCHEMBL13334321 0.97 ALDH1A1 (0.41) ALDH1A1MAPTTRIM24TRIM33THRB
SCHEMBL3438361 0.97 ALDH1A1 (0.41) ALDH1A1MAPTTRIM24TRIM33THRB
SCHEMBL4741793 0.95 MAPT (0.38) ALDH1A1MAPTTRIM24TRIM33THRB
SCHEMBL14441603 0.95 TRIM24 (0.42) ALDH1A1MAPTTRIM24TRIM33THRB
SCHEMBL11330899 0.92 TRIM24 (0.48) ALDH1A1MAPTTRIM24TRIM33THRB
SCHEMBL10514312 0.90 TRIM24 (0.41) ALDH1A1MAPTTRIM24TRIM33THRB
SCHEMBL6889662 0.90 ALDH1A1 (0.42) ALDH1A1MAPTTRIM24TRIM33CA1
SCHEMBL1865812 0.90 ALDH1A1 (0.42) ALDH1A1MAPTTRIM24TRIM33CA1
SCHEMBL6889659 0.90 ALDH1A1 (0.42) ALDH1A1MAPTTRIM24TRIM33CA1

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
WO-2011020909-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-02-24 WO disclosed
WO-2011020909-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-02-24 WO disclosed
US-7807856-B2 Process for production of 2-Benzylphenol compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-05 US disclosed
US-20080194882-A1 Process For Production of 2-Benzylphenol Compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2008-08-14 US disclosed
EP-1810957-A1 METHOD FOR PRODUCING 2-BENZYLPHENOL COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2007-07-25 EP disclosed
US-4289524-A Herbicidal 3-(tetrahydrobenzothiazol-2-yl)tetrahydro-1,3,5-oxadiazin-4-ones VELSICOL CHEMICAL COPORATION (US) 1981-09-15 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-20080194882-A1 Process For Production of 2-Benzylphenol Compound CYP1B1, CYP4B1, CYP1A1 ALDH1A1 1026/4885MAPT 4506/4885TRIM24 2567/4885

“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.