SCHEMBL3317680

SCHEMBL3317680

COc1ccc(C(=O)C2(Br)CCCCC2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MDM2 Q00987 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM3 Q14832 1/20 0.40
KDM2B Q8NHM5 3/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3315274 0.82 MAPK1 (0.45) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL13417279 0.81 KMT2A (0.37) KDM2BKMT2A
SCHEMBL3318569 0.76 SMN1; SMN2 (0.40) NPC1RAB9AMAPK1ALDH1A1MDM2
SCHEMBL4611297 0.73 GSK3B (0.51) RAB9AMAPK1CA1CA2ALDH1A1
SCHEMBL14980948 0.73 NPC1 (0.46) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL17296893 0.73 ATM (0.53) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL8347525 0.71 ATM (0.48) NPC1RAB9AMAPK1GAACA1
SCHEMBL3318675 0.71 NPC1 (0.38) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL3318683 0.71 POLB (0.39) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL14980935 0.71 PLK1 (0.44) NPC1RAB9AMAPK1ALDH1A1MEN1

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 9 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
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 NPC1 3402/4885RAB9A 1939/4885CASP3 818/4885

“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.