SCHEMBL77965

SCHEMBL77965

CC(=O)c1ccc(CCO)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
HSD17B10 Q99714 1/20 0.60
CYP4A11 Q02928 5/20 0.56
CYP4F2 P78329 4/20 0.56
LMNA P02545 2/20 0.55
CA2 P00918 2/20 0.50
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARA Q07869 1/20 0.46
PYCR1 P32322 1/20 0.46
MAOB P27338 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45

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
SCHEMBL11039774 0.90 KMT2A (0.53) KMT2AHSD17B10CYP4A11CYP4F2LMNA
SCHEMBL9818052 0.88 KMT2A (0.73) KMT2AHSD17B10LMNAMMP12MMP13
SCHEMBL9253282 0.87 HSD17B10 (0.67) KMT2AHSD17B10CYP4A11CYP4F2LMNA
SCHEMBL9253738 0.85 CYP4A11 (0.66) KMT2AHSD17B10CYP4A11CYP4F2LMNA
Methane SCHEMBL10448934 0.85 HSD17B10 (0.65) KMT2AHSD17B10CYP4A11CYP4F2LMNA
Acetophenone SCHEMBL8048362 0.85 TDP1 (0.64) KMT2AHSD17B10CYP4A11CYP4F2LMNA
SCHEMBL17457887 0.84 HSD17B10 (0.74) KMT2AHSD17B10CYP4A11CYP4F2LMNA
SCHEMBL11424105 0.84 HSD17B10 (0.74) KMT2AHSD17B10CYP4A11CYP4F2LMNA
SCHEMBL9445340 0.84 CYP4A11 (0.64) KMT2AHSD17B10CYP4A11CYP4F2LMNA
SCHEMBL28560062 0.84 CYP4A11 (0.64) KMT2AHSD17B10CYP4A11CYP4F2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023132606-A1 NOVEL ISOINDOLINONE DERIVATIVE COMPOUNDS AS CASPASE INHIBITORS 주식회사 이노보테라퓨틱스 2023-07-13 WO disclosed
US-11518733-B2 Process for preparation of highly pure Fingolimod hydrochloride SHIVALIK RASAYAN LIMITED (IN) 2022-12-06 US disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-112694449-B Asymmetric hydrogenation of ketone and alpha, beta-unsaturated ketone catalyzed by nonmetal catalyst 中国科学院化学研究所 2022-05-24 CN disclosed
CN-112694449-A Novel nonmetal catalyst for catalyzing asymmetric hydrogenation of ketone and alpha, beta-unsaturated ketone 中国科学院化学研究所 2021-04-23 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
CN-101730677-B Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-16 CN disclosed
US-20120316208-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-12-13 US disclosed
US-20090011154-A1 THERMAL TRANSFER IMAGE-RECEIVING SHEET AND SURFACE CONDITION IMPROVER FUJIFILM CORPORATION (JP) 2009-01-08 US disclosed
US-20060211891-A1 Metal catalyst and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-21 US disclosed
CN-1805788-A Metal catalyst and its use SUMITOMO CHEMICAL CO (JP) 2006-07-19 CN disclosed
EP-1618953-A1 METAL CATALYST AND ITS USE Sumitomo Chemical Company, Limited (JP) 2006-01-25 EP 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
EP-0171040-A1 P-Cyanobiphenylyl-[p-(omega-alkoxyalkyl)]-benzoate compound and liquid crystal material CASIO COMPUTER COMPANY LIMITED (JP) 1986-02-12 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-20060211891-A1 Metal catalyst and its use SOD1, NOX4, MVD KMT2A 2086/4885HSD17B10 3480/4885CYP4A11 2087/4885
US-20120316208-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH UGDH, UGGT1, UMPS KMT2A 3592/4885HSD17B10 1927/4885CYP4A11 3074/4885
US-11518733-B2 Process for preparation of highly pure Fingolimod hydrochloride S1PR5, S1PR4, S1PR1 KMT2A 336/4885HSD17B10 3343/4885CYP4A11 860/4885

“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.