SCHEMBL514827

SCHEMBL514827

C=CCCCC(=O)OCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
DGKA P23743 1/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.52
MGLL Q99685 1/20 0.49
MAPT P10636 3/20 0.47
THRB P10828 1/20 0.47
CNR1 P21554 1/20 0.47
DNM1 Q05193 1/20 0.43
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE4D Q08499 1/20 0.42
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
MAPK1 P28482 1/20 0.40
ABCC4 O15439 1/20 0.39
ATM Q13315 1/20 0.39
PAM P19021 2/20 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
SCHEMBL515243 0.94 ALDH1A1 (0.59) TSHRDGKAALDH1A1LMNAMGLL
SCHEMBL15758052 0.93 ALDH1A1 (0.62) TSHRDGKAALDH1A1LMNAMGLL
SCHEMBL514908 0.93 ALDH1A1 (0.62) TSHRDGKAALDH1A1LMNAMGLL
SCHEMBL514724 0.93 ALDH1A1 (0.62) TSHRDGKAALDH1A1LMNAMGLL
SCHEMBL6434039 0.93 ALDH1A1 (0.62) TSHRDGKAALDH1A1LMNAMGLL
SCHEMBL3694489 0.93 ALDH1A1 (0.62) TSHRDGKAALDH1A1LMNAMGLL
SCHEMBL513683 0.91 TSHR (0.56) TSHRDGKAALDH1A1LMNAMGLL
SCHEMBL3117539 0.89 TSHR (0.59) TSHRDGKAALDH1A1LMNAMGLL
SCHEMBL515043 0.88 TSHR (0.47) TSHRDGKAALDH1A1LMNAMGLL
SCHEMBL25397233 0.87 TSHR (0.62) TSHRDGKAALDH1A1LMNAMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082157-A Method for preparing organic carboxylic ester by olefine unsaturated compound alkoxycarbonyl reaction 上海梓龄化工技术有限公司 2023-05-09 CN claimed
CN-107323055-A TPU film for automobile surface protection and preparation method of self-repairing coating thereof 东莞市鼎力薄膜科技有限公司 2017-11-07 CN claimed
CN-116082157-A Method for preparing organic carboxylic ester by olefine unsaturated compound alkoxycarbonyl reaction 上海梓龄化工技术有限公司 2023-05-09 CN disclosed
CN-107323055-A TPU film for automobile surface protection and preparation method of self-repairing coating thereof 东莞市鼎力薄膜科技有限公司 2017-11-07 CN disclosed
US-9714271-B2 Cyclosporine analogue molecules modified at amino acid 1 and 3 CONTRAVIR PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-20160207961-A1 Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 ACHILLE LIFE SCIENCES LIMITED (GB) 2016-07-21 US disclosed
US-9200038-B2 Cyclosporine analogue molecules modified at amino acid 1 and 3 CICLOFILIN PHARMACEUTICALS CORP. (CA) 2015-12-01 US disclosed
CN-102369173-B Method for producing high-purity terminal olefin compound KURARAY CO 2014-09-10 CN disclosed
US-20140142033-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 ISOTECHNIKA PHARMA INC. (CA) 2014-05-22 US disclosed
EP-2415740-B1 METHOD FOR PRODUCING HIGH-PURITY TERMINAL OLEFIN COMPOUND KURARAY CO (JP) 2013-12-25 EP disclosed
US-8609886-B2 Method for producing high purity terminal olefin compound KURARAY CO., LTD. (JP) 2013-12-17 US disclosed
US-20130190223-A1 NONIMMUNOSUPPRESSIVE CYCLOSPORINE ANALOGUE MOLECULES ISOTECHNIKA PHARMA INC. (CA) 2013-07-25 US disclosed
CN-102369173-A Method for producing high-purity terminal olefin compound KURARAY CO 2012-03-07 CN disclosed
EP-2415740-A1 METHOD FOR PRODUCING HIGH-PURITY TERMINAL OLEFIN COMPOUND Kuraray Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120029229-A1 METHOD FOR PRODUCING HIGH PURITY TERMINAL OLEFIN COMPOUND KURARAY CO., LTD. (JP) 2012-02-02 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-20130190223-A1 NONIMMUNOSUPPRESSIVE CYCLOSPORINE ANALOGUE MOLECULES CD40, FKBP1A, FKBP4 TSHR 2593/4885DGKA 3357/4885ALDH1A1 2494/4885
US-20160207961-A1 Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 FKBP1A, CHP1, FKBP3 TSHR 4502/4885DGKA 3680/4885ALDH1A1 3240/4885
US-20140142033-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 FKBP1A, CHP1, FKBP3 TSHR 4502/4885DGKA 3680/4885ALDH1A1 3240/4885
US-20120029229-A1 METHOD FOR PRODUCING HIGH PURITY TERMINAL OLEFIN COMPOUND ADH1A, ADH1C, OSBP TSHR 3218/4885DGKA 545/4885ALDH1A1 233/4885

“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.