SCHEMBL3321895

SCHEMBL3321895

CC1=C(C)CC(C(=O)c2ccccc2)C(C(=O)O)C1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.51
GAA P10253 1/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 4/20 0.48
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL6995617 0.94 TAAR1 (0.44) TAAR1GAAKDM4EHPGDHTT
SCHEMBL7489573 0.79 TAAR1 (0.49) TAAR1GAAKDM4EHPGDHTT
SCHEMBL9004833 0.79 TAAR1 (0.49) TAAR1GAAKDM4EHPGDHTT
SCHEMBL9004827 0.79 TAAR1 (0.49) TAAR1GAAKDM4EHPGDHTT
SCHEMBL16521477 0.76 KMO (0.58) HTTALDH1A1TSHR
SCHEMBL11374054 0.76 KMO (0.58) HTTALDH1A1TSHR
SCHEMBL8775309 0.76 KMO (0.58) HTTALDH1A1TSHR
SCHEMBL3321898 0.76 TAAR1 (0.35) TAAR1GAAKDM4EHPGDHTT
SCHEMBL9420034 0.75 CES1 (0.43) KDM4EHTTALDH1A1POLBKMT2A
SCHEMBL10905952 0.74 ALDH1A1 (0.72) TAAR1GAAKDM4EHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
EP-2129659-B1 ALPHA-HYDROXYKETONES BASF SE (DE) 2013-05-29 EP disclosed
US-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 US disclosed
EP-2129659-A1 ALPHA-HYDROXYKETONES BASF SE (DE) 2009-12-09 EP disclosed
WO-2008122504-A1 ALPHA-HYDROXYKETONES BASF SE (CH) 2008-10-16 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 (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-20100104979-A1 ALPHA-HYDROXYKETONES C9, C1R, CBR3 TAAR1 1580/4885GAA 4240/4885KDM4E 1162/4885

“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.