SCHEMBL3318341

SCHEMBL3318341

CCOC(=O)C1CCCCC1(O)C(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
OPRM1 P35372 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
CCR1 P32246 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP13 P45452 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
SCHEMBL3318434 0.90 SMN1; SMN2 (0.47) POLBALDH1A1LMNAGAASMN1; SMN2
SCHEMBL3314637 0.90 SMN1; SMN2 (0.45) POLBALDH1A1GAAOPRM1SMN1; SMN2
SCHEMBL3314415 0.90 ALDH1A1 (0.40) ALDH1A1OPRM1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL3318083 0.89 FKBP1A (0.37) SMN1; SMN2NPC1CYP1A2HPGDCYP2C19
SCHEMBL13398010 0.89 FKBP1A (0.37) SMN1; SMN2NPC1CYP1A2HPGDCYP2C19
SCHEMBL3321277 0.88 KMT2A (0.42) POLBALDH1A1LMNAGAASMN1; SMN2
SCHEMBL3318629 0.86 HTT (0.39) POLBALDH1A1LMNAGAASMN1; SMN2
SCHEMBL3320782 0.85 LMNA (0.41) POLBALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL3314062 0.85 FKBP1A (0.35) SMN1; SMN2NPC1CYP1A2HPGDCYP2C19
SCHEMBL3316425 0.83 KDM4E (0.46) POLBALDH1A1NPC1CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
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
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
US-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 US 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
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 POLB 2943/4885ALDH1A1 734/4885LMNA 951/4885

“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.