SCHEMBL2947589

SCHEMBL2947589

CCCCCCC1=C(C)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
HIF1A Q16665 1/20 0.42
ALOX5 P09917 10/20 0.39
MPEG1 Q2M385 7/20 0.39
CDC25A P30304 6/20 0.39
CDC25B P30305 6/20 0.39
CDC25C P30307 5/20 0.39
XIAP P98170 2/20 0.39
GPR84 Q9NQS5 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
PTGES O14684 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 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
SCHEMBL7051769 1.00 ALDH1A1 (0.43) ALDH1A1TDP1MAPTTHRBLMNA
SCHEMBL114204 0.98 ALDH1A1 (0.41) ALDH1A1TDP1MAPTTHRBLMNA
SCHEMBL131405 0.92 ALDH1A1 (0.35) ALDH1A1TDP1MAPTTHRBLMNA
Acetic Acid SCHEMBL9004863 0.89 ALDH1A1 (0.44) ALDH1A1TDP1MAPTTHRBLMNA
SCHEMBL20819043 0.86 ALDH1A1 (0.39) ALDH1A1TDP1MAPTTHRBLMNA
SCHEMBL10385817 0.83 GAA (0.36) ALDH1A1
SCHEMBL16276017 0.79
SCHEMBL19052887 0.79 ACHE (0.33) ALDH1A1TDP1MAPTTHRBLMNA
SCHEMBL8570683 0.79 ALDH1A1 (0.33) ALDH1A1TDP1MAPTTHRBLMNA
SCHEMBL8570684 0.79 ALDH1A1 (0.33) ALDH1A1TDP1MAPTTHRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011749-A1 USE OF CERTAIN METAL-ACCUMULATING PLANTS FOR THE PERFORMANCE OF ORGANIC CHEMISTRY REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-01-08 US disclosed
US-20150011749-A1 USE OF CERTAIN METAL-ACCUMULATING PLANTS FOR THE PERFORMANCE OF ORGANIC CHEMISTRY REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-01-08 US disclosed
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
EP-2139354-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-01-06 EP disclosed
WO-2008116339-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-10-02 WO disclosed
WO-2008116339-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-10-02 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 (2 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-20100113460-A1 Organic Compounds CYP2B6, CYP2A6, CYP2A13 ALDH1A1 78/4885TDP1 1152/4885MAPT 3924/4885
US-20150011749-A1 USE OF CERTAIN METAL-ACCUMULATING PLANTS FOR THE PERFORMANCE OF ORGANIC CHEMISTRY REACTIONS ME1, OSGEP, AGL ALDH1A1 912/4885TDP1 1530/4885MAPT 533/4885

“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.