SCHEMBL10149074

SCHEMBL10149074

CC(=O)Oc1cc(OC(C)=O)cc(C(=O)Nc2ccc(C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 1/20 0.59
▸ NPC1 O15118 10/20 0.59
▸ RAB9A P51151 10/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ TP53 P04637 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ MAPT P10636 3/20 0.54
▸ LMNA P02545 3/20 0.53
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ HTT P42858 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51

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
SCHEMBL10182559 0.90 TOP1 (0.62) TOP1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL18085801 0.89 TOP1 (0.60) TOP1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL3860585 0.88 NQO2 (0.60) TOP1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL18085802 0.86 MAPT (0.55) TOP1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL7274228 0.86 NPC1 (0.71) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL10149369 0.84 TOP1 (0.59) TOP1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL16681524 0.83 TOP1 (0.66) TOP1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL18027723 0.82 TOP1 (0.88) TOP1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL2912453 0.81 RAB9A (0.80) TOP1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL17570205 0.78 KMT2A (0.70) TOP1NPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 — — US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 — — US disclosed
US-20080280989-A1 Hydroxybenzamide Derivatives, the Method For Preparing Thereof and the Cosmetic Composition Containing the Same AMOREPACIFIC CORPORATION (KR) 2008-11-13 — — 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 (3 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-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 TOP1 1500/4885NPC1 3562/4885RAB9A 3419/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 TOP1 1500/4885NPC1 3562/4885RAB9A 3419/4885
US-20080280989-A1 Hydroxybenzamide Derivatives, the Method For Preparing Thereof and the Cosmetic Composition Containing the Same H1-0, HAAO, H1-10 TOP1 1513/4885NPC1 4272/4885RAB9A 2523/4885

“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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