SCHEMBL18029846

SCHEMBL18029846

CC(=O)SC(c1ccccc1)c1cc(C)c(O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TTR P02766 3/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.37
▸ CYTH2 Q99418 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SOAT2 O75908 1/20 0.34
▸ ACAT1 P24752 1/20 0.34
▸ SOAT1 P35610 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL3056114 0.84 SLC6A3 (0.47) MEN1KMT2ACYP2D6MAPK1SLC6A3
SCHEMBL9701512 0.73 L3MBTL1 (0.45) MEN1KMT2ANPC1TTRALOX5
SCHEMBL1959777 0.71 TSHR (0.46) MEN1KMT2AALOX5CYP2D6MAPK1
SCHEMBL2036296 0.71 PTGS1 (0.48) MEN1KMT2ANPC1TTRALOX5
SCHEMBL2026462 0.71 PTGS1 (0.48) MEN1KMT2ANPC1TTRALOX5
SCHEMBL12157016 0.71 PTGS1 (0.48) MEN1KMT2ANPC1TTRALOX5
SCHEMBL9700450 0.70 BRD4 (0.47) MEN1KMT2ANPC1TTRALOX5
SCHEMBL22749374 0.70 TYR (0.47) MEN1KMT2ANPC1TTRALOX5
SCHEMBL10442632 0.69 BCL2 (0.40) MEN1KMT2ANPC1TTRALOX5
SCHEMBL4054068 0.68 CYP2D6 (0.48) CYP2D6MAPK1SLC6A3LMNATSHR

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-10351492-B2 Introduction of alkyl substituents to aromatic compounds B. G. NEGEV TECHNOLOGIES AND APPLICATIONS (IL) 2019-07-16 — — US disclosed
US-20180065904-A1 INTRODUCTION OF ALKYL SUBSTITUENTS TO AROMATIC COMPOUNDS B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2018-03-08 — — US disclosed
US-20180065904-A1 INTRODUCTION OF ALKYL SUBSTITUENTS TO AROMATIC COMPOUNDS B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2018-03-08 — — US disclosed
WO-2016132355-A1 INTRODUCTION OF ALKYL SUBSTITUENTS TO AROMATIC COMPOUNDS B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2016-08-25 — — 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-20180065904-A1 INTRODUCTION OF ALKYL SUBSTITUENTS TO AROMATIC COMPOUNDS TST, NAT1, CBS MEN1 3203/4885KMT2A 1780/4885NPC1 2349/4885
US-10351492-B2 Introduction of alkyl substituents to aromatic compounds TST, NAT1, CBS MEN1 3203/4885KMT2A 1780/4885NPC1 2349/4885

“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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