SCHEMBL2444536

SCHEMBL2444536

Cc1cccc(C(CCO)CCO)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.43
ACHE P22303 2/20 0.42
AOC3 Q16853 1/20 0.40
CYP19A1 P11511 3/20 0.40
TRPA1 O75762 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
SLC6A9 P48067 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4662805 0.92 ACP3 (0.41) ACP3ACHEAOC3CYP19A1TRPA1
SCHEMBL27453900 0.83 ACHE (0.46) ACP3ACHEAOC3CYP19A1SLC6A2
SCHEMBL3196398 0.82 ACP3 (0.42) ACP3ACHEAOC3CYP19A1TRPA1
SCHEMBL10409370 0.82 TRPA1 (0.46) ACP3ACHEAOC3CYP19A1TRPA1
SCHEMBL24527613 0.82 AOC3 (0.42) ACP3ACHEAOC3CYP19A1TRPA1
SCHEMBL28830485 0.82 ACP3 (0.39) ACP3ACHEAOC3CYP19A1SLC6A2
SCHEMBL28830483 0.82 ACP3 (0.39) ACP3ACHEAOC3CYP19A1SLC6A2
SCHEMBL29800155 0.82 ACP3 (0.39) ACP3ACHEAOC3CYP19A1SLC6A2
Toluene SCHEMBL8820915 0.82 TRPA1 (0.48) ACP3ACHETRPA1LMNAALOX12
Toluene SCHEMBL9044191 0.82 TRPA1 (0.48) ACP3ACHETRPA1LMNAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042532-B1 Polymerizable composition and planographic printing plate precursor using the same, alkalisoluble polyurethane resin, and process for producing diol compound FUJIFILM CORP (JP) 2011-09-14 EP disclosed
US-7741011-B2 Polymerizable composition and planographic printing plate precursor using the same, alkali-soluble polyurethane resin, and process for producing diol compound FUJIFILM CORPORATION (JP) 2010-06-22 US disclosed
US-20090087785-A1 POLYMERIZABLE COMPOSITION AND PLANOGRAPHIC PRINTING PLATE PRECURSOR USING THE SAME, ALKALI-SOLUBLE POLYURETHANE RESIN, AND PROCESS FOR PRODUCING DIOL COMPOUND FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
EP-2042532-A2 Polymerizable composition and planographic printing plate precursor using the same, alkalisoluble polyrethane resin, an process for producing diol compound FUJIFILM Corporation (JP) 2009-04-01 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-20090087785-A1 POLYMERIZABLE COMPOSITION AND PLANOGRAPHIC PRINTING PLATE PRECURSOR USING THE SAME, ALKALI-SOLUBLE POLYURETHANE RESIN, AND PROCESS FOR PRODUCING DIOL COMPOUND PAH, RPN1, RER1 ACP3 3034/4885ACHE 4843/4885AOC3 1032/4885

“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.