SCHEMBL11941549

SCHEMBL11941549

CCc1ccc(C2OCCCO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NPSR1 Q6W5P4 1/20 0.36
KIF11 P52732 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
BRCA1 P38398 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2A6 P11509 1/20 0.33

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
SCHEMBL11941058 0.92 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HTTLMNANPC1
SCHEMBL9778725 0.86 RXRA (0.47) SMN1; SMN2ALDH1A1HTTLMNANPC1
SCHEMBL9451018 0.82 MEN1 (0.41) SMN1; SMN2ALDH1A1HTTLMNANPC1
SCHEMBL20168374 0.80 HRH3 (0.39) SMN1; SMN2ALDH1A1HTTTAAR1
SCHEMBL31139228 0.80 CHKA (0.39) SMN1; SMN2ALDH1A1HTTMEN1MAPT
SCHEMBL11941055 0.78 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HTTLMNANPC1
SCHEMBL13179110 0.77 KCNH2 (0.44) SMN1; SMN2ALDH1A1HTTLMNANPC1
SCHEMBL6224572 0.77 CA2 (0.42) SMN1; SMN2ALDH1A1HTTNPC1RAB9A
SCHEMBL13179084 0.77 KCNH2 (0.44) SMN1; SMN2ALDH1A1HTTLMNANPC1
SCHEMBL3083609 0.77 RAB9A (0.44) SMN1; SMN2ALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
US-8227456-B2 Pharmaceutical composition for preventing and treating metabolic bone diseases containing alpha-arylmethoxyacrylate derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-07-24 US disclosed
US-20110245429-A1 Cross Linked Organic Conductive Layer GOUGH, NEIL (GB) 2011-10-06 US disclosed
US-7879835-B2 treating osteoporosis, comprising administering drugs such as (E)-methyl 2-(2-((4-octylphenoxy)methyl)-3-methoxyacrylate, which inhibit osteoclast formation or resorption activity; side effect reduction KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-02-01 US disclosed
US-20100256367-A1 Pharmaceutical Composition For Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyactylate Derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-10-07 US disclosed
US-20080280901-A1 Pharmaceutical Composition for Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyacrylate Derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-13 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 (4 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-20110245429-A1 Cross Linked Organic Conductive Layer GJB2, GJA1, KCNH3 SMN1; SMN2 3803/4885ALDH1A1 1830/4885HTT 3435/4885
US-20100256367-A1 Pharmaceutical Composition For Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyactylate Derivatives ARSA, BMP2, BMP1 SMN1; SMN2 1743/4885ALDH1A1 721/4885HTT 696/4885
US-20080280901-A1 Pharmaceutical Composition for Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyacrylate Derivatives CYP24A1, SOST, ACP3 SMN1; SMN2 2523/4885ALDH1A1 537/4885HTT 2186/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 SMN1; SMN2 3017/4885ALDH1A1 1582/4885HTT 3622/4885

“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.