SCHEMBL3316947

SCHEMBL3316947

CCCCN(C)C(=O)C1CCCCC1(O)C(=O)c1ccc(C)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 2/20 0.33
PDK2 Q15119 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33

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
SCHEMBL3316966 0.85 KMT2A (0.41) LMNATSHRALDH1A1KMT2AKDM4E
SCHEMBL3314278 0.84 L3MBTL1 (0.41) KDM2BNPC1RAB9ALMNAALDH1A1
SCHEMBL13417267 0.84 THRA (0.35) LMNACNR1CNR2TSHRPDK2
SCHEMBL14041443 0.80 HPGD (0.37) KDM2BNPC1RAB9AALDH1A1KMT2A
SCHEMBL3317400 0.79 NAAA (0.41) KDM2BNPC1RAB9A
SCHEMBL14980954 0.78 NPC1 (0.41) KDM2BNPC1RAB9AALDH1A1KMT2A
SCHEMBL3316132 0.78 NPC1 (0.41) KDM2BNPC1RAB9AALDH1A1KDM4E
SCHEMBL3318629 0.78 HTT (0.39) KDM2BNPC1RAB9ALMNAALDH1A1
SCHEMBL3316954 0.78 SIGMAR1 (0.35) KDM2BNPC1RAB9AALDH1A1OPRM1
SCHEMBL14041481 0.77 KDM2B (0.36) KDM2BNPC1RAB9AALDH1A1TAS1R3

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
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

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 KDM2B 3404/4885NPC1 3402/4885RAB9A 1939/4885

“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.