SCHEMBL6606870

SCHEMBL6606870

CC(=O)N1CCS[C@@H]1c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TERT O14746 6/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACHE P22303 2/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.43
KCNA5 P22460 1/20 0.43
RIPK1 Q13546 1/20 0.42

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
SCHEMBL6608574 0.84 KCNA5 (0.46) TERTKDM4EMAPTALDH1A1LMNA
SCHEMBL2051650 0.72 KMT2A (0.50) KDM4EMAPTALDH1A1NPC1PKM
SCHEMBL9867136 0.69 ALDH1A1 (0.42) MAPTALDH1A1MAPK1POLBSMN1; SMN2
SCHEMBL9266484 0.66 MAPT (0.50) KDM4EMAPTALDH1A1NPC1MAPK1
SCHEMBL23035059 0.65 ALDH1A1 (0.43) TERTKDM4EMAPTALDH1A1NPC1
SCHEMBL19868760 0.65 CYP2C19 (0.48) MAPTALDH1A1NPC1L3MBTL1SMN1; SMN2
SCHEMBL30259745 0.63 MAPT (0.54) KDM4EMAPTALDH1A1NPC1MAPK1
SCHEMBL27941669 0.63 CYP2C19 (0.53) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL11164693 0.63 L3MBTL1 (0.53) TERTMAPTALDH1A1NPC1PKM
SCHEMBL6741700 0.62 HSD17B2 (0.50) TERTKDM4EMAPTALDH1A1NPC1

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
EP-1073428-B1 DIHYDROXYPHENYL DERIVATIVES FOR HEPATOPROTECTION AND TREATMENT OF LIVER DISEASES CHOONGWAE PHARMA CO LTD (KR) 2004-10-27 EP disclosed
US-6693126-B2 OXIME-SUBSTITUTED M-DIHYDROXYBENZENE OR 1,3-BENZODIOXOLE COMPOUND OF GIVEN FORMULA AND AN INERT CARRIER CHOONGWAE PHARM. CO., LTD. (KR) 2004-02-17 US disclosed
US-20030083326-A1 Dihydroxyphenyl derivatives for hepatoprotection and treatment of liver diseases CHOONGWAE PHARM. CO., LTD. (KR) 2003-05-01 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-20030083326-A1 Dihydroxyphenyl derivatives for hepatoprotection and treatment of liver diseases SLC10A1, SLC10A2, ABCB11 TERT 4665/4885KDM4E 3364/4885MAPT 3502/4885

“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.