SCHEMBL3315409

SCHEMBL3315409

COc1ccc(C(=O)C2(O)CCCCC2C(=O)N2CCN(C(=O)C3CCCCC3(O)C(=O)c3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.46
POLB P06746 4/20 0.44
CNR2 P34972 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
EPHX2 P34913 1/20 0.42
GRM3 Q14832 1/20 0.42
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
SCHEMBL17296896 0.95 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDPOLBTSHR
SCHEMBL14980951 0.93 HPGD (0.49) ALDH1A1SMN1; SMN2HPGDPOLBCNR2
SCHEMBL13417396 0.92 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2HPGDCNR2GAA
SCHEMBL3320774 0.92 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDPOLBCNR2
SCHEMBL3317429 0.89 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDPOLBGAA
SCHEMBL3315274 0.84 MAPK1 (0.45) ALDH1A1CNR2GAAEPHX2GRM3
SCHEMBL17296893 0.83 ATM (0.53) ALDH1A1SMN1; SMN2POLBEPHX2
SCHEMBL14980948 0.83 NPC1 (0.46) ALDH1A1POLBCNR2EPHX2
SCHEMBL14980935 0.81 PLK1 (0.44) ALDH1A1HPGDPOLBEPHX2
SCHEMBL17296899 0.80 MEN1 (0.46) ALDH1A1SMN1; SMN2HPGDCNR2GAA

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 6 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
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

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 ALDH1A1 734/4885SMN1; SMN2 4802/4885HPGD 783/4885

“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.