SCHEMBL14734978

SCHEMBL14734978

CC(C)(C)OC(=O)N1CCN(Cc2c(OCc3ccccc3)ccc3c2OCC3=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ ABCB1 P08183 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ TLR9 Q9NR96 4/20 0.41
▸ TLR7 Q9NYK1 2/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK9 P50750 1/20 0.41

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
SCHEMBL14735231 0.89 ABCB1 (0.41) ABCB1OPRD1OPRK1SMN1; SMN2CHRM2
SCHEMBL14735139 0.88 CHRM2 (0.40) ABCB1KDM4ELMNATSHRSMN1; SMN2
SCHEMBL14735118 0.86 LTB4R (0.39) ABCB1MEN1KMT2AKDM4ECHRM2
SCHEMBL14734906 0.86 CHRM2 (0.41) MEN1KMT2ALMNATSHRCHRM2
SCHEMBL14735036 0.85 CHRM2 (0.38) ABCB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL14735205 0.82 VEGFA (0.43) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL14735201 0.79 PARP1 (0.43) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL14735282 0.77 VEGFA (0.46) KDM4ELMNACHRM2CHRM4CHRM1
SCHEMBL14735017 0.76 PIM1 (0.56) MEN1KMT2AKDM4ESMN1; SMN2PIM1
SCHEMBL14735456 0.75 TLR8 (0.42) MEN1KMT2ACHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 — — EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 — — US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 — — EP disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 — — US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 — — EP 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-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 MRGPRX4 3139/4885ABCB1 1467/4885MEN1 2639/4885

“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.

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