SCHEMBL3314062

SCHEMBL3314062

Cc1ccc(C(=O)C2(O)CCCCC2C(=O)OCCCCCCO)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
MMP13 P45452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13398010 0.96 FKBP1A (0.37) FKBP1ARAB9ANPC1CYP1A2HPGD
SCHEMBL3318083 0.96 FKBP1A (0.37) FKBP1ARAB9ANPC1CYP1A2HPGD
SCHEMBL3315191 0.90 FKBP1A (0.38) FKBP1ARAB9ANPC1SMN1; SMN2GPR119
SCHEMBL3314579 0.89 TDP1 (0.38) FKBP1ATDP1MEN1KMT2A
SCHEMBL3316688 0.89 NPC1 (0.35) RAB9ANPC1HPGDGPR119KMT2A
SCHEMBL3314379 0.88 TDP1 (0.38) FKBP1ATDP1MEN1KMT2A
SCHEMBL13397953 0.85 FKBP1A (0.40) FKBP1ARAB9ANPC1SMN1; SMN2GPR119
SCHEMBL3318341 0.85 POLB (0.40) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL3314537 0.84 TDP1 (0.41) FKBP1ATDP1MEN1KMT2A
SCHEMBL3314533 0.84 TDP1 (0.41) FKBP1ATDP1MEN1KMT2A

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 FKBP1A 2441/4885RAB9A 1939/4885NPC1 3402/4885

“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.