SCHEMBL6529359

SCHEMBL6529359

CCC(OC)(C(N)=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CES1 P23141 1/20 0.43
KCNN4 O15554 6/20 0.43
HTT P42858 1/20 0.41
KIF11 P52732 1/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CYP2D6 P10635 2/20 0.39
LMNA P02545 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL11247 0.86 KMT2A (0.46) MAPTKMT2ACES1KCNN4HTT
SCHEMBL2729130 0.85 CES1 (0.46) MAPTKMT2ACES1KCNN4KIF11
SCHEMBL28033810 0.84 MAPT (0.47) MAPTKMT2AKCNN4HTTKIF11
SCHEMBL20293767 0.84 MAPT (0.47) MAPTKMT2AKCNN4HTTKIF11
SCHEMBL18901487 0.84 CES1 (0.44) MAPTKMT2ACES1KCNN4KIF11
SCHEMBL23256417 0.83 MAPT (0.46) MAPTKMT2ACES1KCNN4HTT
SCHEMBL7979097 0.83 PIN1 (0.49) MAPTCES1KCNN4CHRM2CHRM1
SCHEMBL7507157 0.81 MAPT (0.44) MAPTKMT2AKCNN4HTTKIF11
SCHEMBL2028143 0.81 KCNN4 (0.43) MAPTKMT2ACES1KCNN4HTT
SCHEMBL10456740 0.81 CES1 (0.59) MAPTCES1KCNN4CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044107-A1 Inhibitors of JMJD2C as Anticancer Agents THE J. DAVID GLADSTONE INSTITUTES 2017-02-16 US disclosed
US-20050124652-A1 Guanidino compounds BOYCE RUSTUM (US) 2005-06-09 US disclosed
EP-1458724-A1 TOTAL SYNTHESIS OF GALANTHAMINE, ANALOGUES AND DERIVATIVES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-09-22 EP disclosed
WO-2002102803-A1 TOTAL SYNTHESIS OF GALANTHAMINE, ANALOGUES AND DERIVATIVES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2002-12-27 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 (2 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-20170044107-A1 Inhibitors of JMJD2C as Anticancer Agents KDM2A, KDM1B, KDM5C MAPT 3264/4885KMT2A 24/4885CES1 3122/4885
US-20050124652-A1 Guanidino compounds MC4R, MC2R, GPR4 MAPT 2811/4885KMT2A 3202/4885CES1 3990/4885

“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.