SCHEMBL9946161

SCHEMBL9946161

CC(C)(C)OC(=O)Oc1ccc(C2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.54
KDM1A O60341 1/20 0.50
CA2 P00918 1/20 0.36
LMNA P02545 3/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
PPARA Q07869 1/20 0.34
MAPKAPK2 P49137 2/20 0.33
MAPK1 P28482 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 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
SCHEMBL9946156 0.85 ELANE (0.43) ELANEKDM1ACA2LMNARAB9A
SCHEMBL9946138 0.80 ALDH1A1 (0.49) ELANELMNAMAPK1RAB9AALDH1A1
SCHEMBL4061370 0.79 ELANE (0.81) ELANEKDM1ACA2LMNAMAPKAPK2
SCHEMBL16687460 0.75 PSMB8 (0.45) MAPKAPK2
SCHEMBL9946165 0.75 MTNR1A (0.39) LMNAMAPK1RAB9AKMT2ANPC1
SCHEMBL4055221 0.75 ELANE (0.60) ELANEKDM1ACA2LMNACYP2C9
SCHEMBL9946155 0.74 ELANE (0.38) ELANEKDM1ALMNACYP2C9HPGD
SCHEMBL196858 0.74 ELANE (0.68) ELANEKDM1ACA2TSHRPPARA
SCHEMBL7195551 0.74 ELANE (0.68) ELANEKDM1ACA2LMNAMAPKAPK2
SCHEMBL2762706 0.73 ELANE (0.54) ELANEKDM1ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ELANE 4000/4885KDM1A 4657/4885CA2 3510/4885

“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.