SCHEMBL86418

SCHEMBL86418

CC(=O)OCCc1ccc(C(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.45
MAOB P27338 5/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MAOA P21397 1/20 0.44
TYR P14679 1/20 0.42
HTT P42858 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
SCHEMBL168135 0.89 HSD17B10 (0.59) KMT2AHSD17B10ALDH1A1L3MBTL1LMNA
SCHEMBL9251076 0.87 HSD17B10 (0.57) KMT2AHSD17B10ALDH1A1L3MBTL1LMNA
SCHEMBL11612809 0.84 KMT2A (0.59) KMT2AHSD17B10ALDH1A1L3MBTL1LMNA
SCHEMBL2387794 0.82 NPC1 (0.57) KMT2AALDH1A1RAB9AMAPTNPC1
SCHEMBL86139 0.82 ALDH1A1 (0.47) HSD17B10ALDH1A1L3MBTL1RAB9AMAPT
SCHEMBL4242570 0.82 ALDH1A1 (0.62) KMT2AALDH1A1RAB9AMAPTNPC1
SCHEMBL8652676 0.82 LMNA (0.45) ALDH1A1L3MBTL1LMNARAB9AMAPT
SCHEMBL3975016 0.82 NPC1 (0.43) KMT2AHSD17B10ALDH1A1L3MBTL1LMNA
SCHEMBL7365104 0.82 ESR1 (0.56) KMT2AALDH1A1LMNARAB9AMAPT
SCHEMBL168852 0.82 GSK3B (0.50) ALDH1A1L3MBTL1RAB9AMAPTNPC1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181545-B1 PROCESS FOR THE PREPARATION OF OSPEMIFENE SHIONOGI & CO (JP) 2023-11-01 EP disclosed
US-11518733-B2 Process for preparation of highly pure Fingolimod hydrochloride SHIVALIK RASAYAN LIMITED (IN) 2022-12-06 US disclosed
CN-110078594-B Synthetic method of p-hydroxyphenylethanol 新昌县泰如科技有限公司 2022-07-15 CN disclosed
US-20170297999-A1 METHOD FOR PRODUCING TRIPHENYLBUTENE DERIVATIVE Shionogo & Co., Ltd (JP) 2017-10-19 US disclosed
US-20170297999-A1 METHOD FOR PRODUCING TRIPHENYLBUTENE DERIVATIVE Shionogo & Co., Ltd (JP) 2017-10-19 US disclosed
EP-2807143-B1 PROCESS FOR PREPARATION OF FINGOLIMOD GLENMARK GENERICS LTD (IN) 2017-08-30 EP disclosed
CN-107074722-A Method for producing triphenylbutene derivative 盐野义制药株式会社 2017-08-18 CN disclosed
EP-3181545-A1 METHOD FOR PRODUCING TRIPHENYLBUTENE DERIVATIVE Shionogi & Co., Ltd. (JP) 2017-06-21 EP disclosed
US-8735627-B2 Intermediate compounds and process for the preparation of fingolimod MAPI PHARMA LTD. (IL) 2014-05-27 US disclosed
US-20130217899-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD MAPI PHARMA LTD. (IL) 2013-08-22 US disclosed
US-20090176744-A1 Deuterated fingolimod CONCERT PHARMACEUTICALS, INC. (US) 2009-07-09 US disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
US-5385693-A Having rapid response and low phase transition temperature SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0357372-B1 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL CO (JP) 1994-11-17 EP disclosed
US-5264151-A Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-23 US disclosed
US-5124070-A High speed response SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-23 US disclosed
EP-0357372-A2 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-07 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 (5 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 KMT2A 1845/4885HSD17B10 471/4885ALDH1A1 544/4885
US-11518733-B2 Process for preparation of highly pure Fingolimod hydrochloride S1PR5, S1PR4, S1PR1 KMT2A 336/4885HSD17B10 3343/4885ALDH1A1 2287/4885
US-20130217899-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD S1PR2, S1PR4, S1PR3 KMT2A 1011/4885HSD17B10 2401/4885ALDH1A1 738/4885
US-20170297999-A1 METHOD FOR PRODUCING TRIPHENYLBUTENE DERIVATIVE TERB1, TERT, PAH KMT2A 682/4885HSD17B10 541/4885ALDH1A1 844/4885
US-20090176744-A1 Deuterated fingolimod S1PR1, S1PR3, S1PR4 KMT2A 780/4885HSD17B10 1875/4885ALDH1A1 2873/4885

“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.