SCHEMBL1859697

SCHEMBL1859697

CCc1cc(C(C)=O)ccc1CO

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.67
POLB P06746 1/20 0.49
HSD17B1 P14061 1/20 0.47
HTT P42858 1/20 0.46
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CREBBP Q92793 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2A6 P11509 1/20 0.40
TSHR P16473 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL18073734 0.92 PKM (0.71) PKMPOLBHSD17B1HTTALDH1A1
SCHEMBL3279437 0.90 PKM (0.57) PKMPOLBHSD17B1HTTALDH1A1
SCHEMBL28277569 0.85 PKM (0.62) PKMPOLBHSD17B1HTTALDH1A1
SCHEMBL17058903 0.84 ACE2 (0.53) PKMPOLBHTTALDH1A1KMT2A
SCHEMBL23764853 0.82 PKM (0.50) PKMPOLBHSD17B1HTTALDH1A1
SCHEMBL30426875 0.82 PKM (0.50) PKMPOLBHSD17B1HTTALDH1A1
SCHEMBL28572184 0.82 ALDH1A1 (0.49) PKMPOLBHTTALDH1A1KMT2A
SCHEMBL26493365 0.82 PKM (0.46) PKMPOLBHSD17B1HTTALDH1A1
SCHEMBL24075452 0.82 PKM (0.50) PKMPOLBHSD17B1HTTALDH1A1
SCHEMBL1909365 0.80 PKM (0.61) PKMPOLBHSD17B1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111978166-A Preparation method of 3-ethyl-4-hydroxymethyl acetophenone 南京康德祥医药科技有限公司 2020-11-24 CN claimed
CN-111405897-A Process for the preparation of siponimod, its salts and solid forms 雷迪博士实验室有限公司 2020-07-10 CN claimed
CN-109456156-A A method of preparing 3- ethyl -4- methylol acetophenone 荆门医药工业技术研究院 2019-03-12 CN claimed
CN-122070130-A S1PR4 modulator compounds for myopathy treatment and uses thereof 生元泽通(上海)医药有限公司 2026-05-19 CN disclosed
CN-122029146-A S1PR4 modulator compounds for the treatment of autoimmune diseases and uses thereof 生元泽通(上海)医药有限公司 2026-05-12 CN disclosed
EP-4673126-A1 COMPOSITIONS AND METHODS OF USE THEREOF Board of Supervisors of Louisiana State University and Agricultural and Mechanical College (US) 2026-01-07 EP disclosed
EP-4192809-B1 PROCESS FOR THE PREPARATION OF A KEY INTERMEDIATE OF SIPONIMOD OLON SPA (IT) 2025-09-03 EP disclosed
WO-2025077706-A1 S1PR4 REGULATOR COMPOUND FOR MUSCLE DISEASE TREATMENT AND APPLICATION THEREOF 华东师范大学 2025-04-17 WO disclosed
WO-2025077707-A1 S1PR4 REGULATOR COMPOUND FOR AUTOIMMUNE DISEASE TREATMENT AND APPLICATION THEREOF 华东师范大学 2025-04-17 WO disclosed
CN-119775186-A S1PR4 modulator compounds for myopathy treatment and uses thereof 华东师范大学 2025-04-08 CN disclosed
CN-119775185-A S1PR4 modulator compounds for the treatment of autoimmune diseases and uses thereof 华东师范大学 2025-04-08 CN disclosed
EP-2809645-A1 PROCESS FOR PREPARING N-(4-CYCLOHEXYL-3-TRIFLUOROMETHYL-BENZYLOXY)-ACETIMIDIC ACID ETHYL ESTER Novartis AG (CH) 2014-12-10 EP disclosed
WO-2013113915-A1 PROCESS FOR PREPARING N-(4-CYCLOHEXYL-3-TRIFLUOROMETHYL-BENZYLOXY)-ACETIMIDIC ACID ETHYL ESTER NOVARTIS AG (CH) 2013-08-08 WO disclosed
EP-2514743-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2012-10-24 EP disclosed
US-7939519-B2 Immunosuppresant compounds and compositions NOVARTIS AG (CH) 2011-05-10 US disclosed
US-20090036423-A1 IMMUNOSUPPRESANT COMPOUNDS AND COMPOSITIONS NOVARTIS PHARMACEUTICALS CORPORATION 2009-02-05 US disclosed
EP-1633336-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-10-29 EP disclosed
EP-1633336-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-15 EP disclosed
US-20050014728-A1 Immunosuppressant compounds and compositions IRM LLC 2005-01-20 US disclosed
WO-2004103306-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 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-20050014728-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 PKM 4392/4885POLB 4839/4885HSD17B1 2234/4885
US-20090036423-A1 IMMUNOSUPPRESANT COMPOUNDS AND COMPOSITIONS EDNRA, NFATC1, FCGR1A PKM 4525/4885POLB 4730/4885HSD17B1 1994/4885

“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.