SCHEMBL10035868

SCHEMBL10035868

CC1=Nc2ccc(OCCCOCCCO)cc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.38
PDE2A O00408 3/20 0.35
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
P2RY12 Q9H244 2/20 0.35
ALK Q9UM73 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
NR1I2 O75469 1/20 0.33
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 2/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL11848693 0.84 CYP1A2 (0.40) PDK2PDE3BPDE3AGAALMNA
SCHEMBL25337063 0.82 MAOA (0.39) OPRK1MAPK1
SCHEMBL31142492 0.82 MAOA (0.39) OPRK1MAPK1
SCHEMBL19116818 0.82 NCF1 (0.45) PDE3BPDE3AP2RY12ALKALDH1A1
SCHEMBL19105089 0.82 MAOA (0.39) OPRK1MAPK1
SCHEMBL25336502 0.80 PDE3B (0.45) PDK2PDE3BPDE3ATP53GAA
SCHEMBL31142498 0.80 PLA2G2A (0.39) PDE3BPDE3AP2RY12ALDH1A1LMNA
SCHEMBL10067074 0.79 PDK2 (0.34) PDK2TP53GAAEHMT2
SCHEMBL11291373 0.78 MAPT (0.41) PDK2TP53ALDH1A1EHMT2MEN1
SCHEMBL10067075 0.77 PDE3B (0.35) PDK2PDE3BPDE3AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120045851-A1 LABELS, THEIR PRODUCTION PROCESS AND THEIR USES LABORATOIRES SYNTH-INNOVE (FR) 2012-02-23 US disclosed
US-8034626-B2 Labels, their production process and their uses LABORATOIRES SYNTH-INNOVE (FR) 2011-10-11 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-20120045851-A1 LABELS, THEIR PRODUCTION PROCESS AND THEIR USES HLCS, PFAS, CYBA PDK2 2168/4885PDE2A 4557/4885PDE3B 4636/4885

“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.