SCHEMBL5654433

SCHEMBL5654433

CC(C)(C)OC(=O)CC(O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.51
LMNA P02545 1/20 0.46
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
BCAT2 O15382 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AOC3 Q16853 1/20 0.40

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
SCHEMBL28857505 1.00 RIPK1 (0.51) RIPK1LMNACTSSCTSKBCAT2
SCHEMBL9420598 0.87 RIPK1 (0.46) RIPK1LMNACTSSCTSKBCAT2
SCHEMBL6545363 0.87 RIPK1 (0.46) RIPK1LMNACTSSCTSKBCAT2
SCHEMBL28829142 0.84 CTSK (0.45) RIPK1CTSSCTSKBCAT2MAPT
SCHEMBL28022209 0.83 RIPK1 (0.57) RIPK1LMNACTSSCTSKBCAT2
SCHEMBL8770937 0.83 AOC3 (0.42) CTSSCTSKMAPTCYP2D6ALDH1A1
SCHEMBL8770922 0.83 AOC3 (0.42) LMNACYP2D6TSHRAOC3
SCHEMBL5922341 0.83 FFAR1 (0.40) LMNASMN1; SMN2CYP2D6ALDH1A1TSHR
SCHEMBL8770939 0.83 NPC1 (0.39) CTSSCTSKNPC1RAB9ASMN1; SMN2
SCHEMBL8770928 0.83 FFAR1 (0.51) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102851101-B Lubricant additive and preparation method thereof BAIYIN XINSHENG CHEMICAL NEW MATERIAL TECHNOLOGY CO LTD 2013-12-18 CN claimed
CN-102851101-A Lubricant additive and preparation method thereof BAIYIN XINSHENG CHEMICAL NEW MATERIAL TECHNOLOGY CO LTD 2013-01-02 CN claimed
CN-102851101-B Lubricant additive and preparation method thereof BAIYIN XINSHENG CHEMICAL NEW MATERIAL TECHNOLOGY CO LTD 2013-12-18 CN disclosed
CN-102851101-A Lubricant additive and preparation method thereof BAIYIN XINSHENG CHEMICAL NEW MATERIAL TECHNOLOGY CO LTD 2013-01-02 CN disclosed
US-20070292540-A1 Extracts and Methods Comprising Cinnamon Species HERBALSCIENCE SINGAPORE PTE. LTD. (SG) 2007-12-20 US disclosed
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
EP-1319664-B1 Process for the preparation of organozinc halogen compounds from reactive halogen compounds and use thereof CONSORTIUM ELEKTROCHEM IND (DE) 2004-03-17 EP disclosed
US-6603034-B2 Reacting a reactive halogen compound with zinc in one or more carboxylic esters. It is also possible to prepare keto, hydroxyl and amino compounds of organozinc halides obtained in a first step from a reactive halogen compound and zinc in one Consortium für elektrochemische Industrie GmbH (DE) 2003-08-05 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
US-20030114697-A1 PREPARATION OF ORGANOZINC HALIDES FROM REACTIVE HALOGEN COMPOUNDS AND THEIR USE CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2003-06-19 US disclosed
EP-1319664-A1 Process for the preparation of organozinc halogen compounds from reactive halogen compounds and use thereof Consortium für elektrochemische Industrie GmbH (DE) 2003-06-18 EP disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 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 (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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM RIPK1 974/4885LMNA 4447/4885CTSS 3395/4885
US-20070292540-A1 Extracts and Methods Comprising Cinnamon Species MT-CO2, CA7, CES2 RIPK1 3378/4885LMNA 1528/4885CTSS 976/4885
US-20030114697-A1 PREPARATION OF ORGANOZINC HALIDES FROM REACTIVE HALOGEN COMPOUNDS AND THEIR USE ZRANB2, ZKSCAN2, ZCCHC8 RIPK1 3655/4885LMNA 4330/4885CTSS 1764/4885

“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.