SCHEMBL3801934

SCHEMBL3801934

CCCCCCCCNCC(O)C(O)C(O)C(O)CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ANPEP P15144 1/20 0.45
ERAP2 Q6P179 1/20 0.45
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
CYP2D6 P10635 2/20 0.39
SPHK1 Q9NYA1 1/20 0.39
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CETP P11597 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
SCHEMBL1665839 1.00 KDM4E (0.48) KDM4EANPEPERAP2ALDH1A1TSHR
SCHEMBL3673155 1.00 KDM4E (0.48) KDM4EANPEPERAP2ALDH1A1TSHR
SCHEMBL6012839 1.00 KDM4E (0.48) KDM4EANPEPERAP2ALDH1A1TSHR
SCHEMBL14118625 1.00 KDM4E (0.48) KDM4EANPEPERAP2ALDH1A1TSHR
SCHEMBL617140 1.00 KDM4E (0.48) KDM4EANPEPERAP2ALDH1A1TSHR
SCHEMBL7275105 1.00 KDM4E (0.48) KDM4EANPEPERAP2ALDH1A1TSHR
SCHEMBL17678369 1.00 KDM4E (0.48) KDM4EANPEPERAP2ALDH1A1TSHR
SCHEMBL12510924 1.00 KDM4E (0.48) KDM4EANPEPERAP2ALDH1A1TSHR
SCHEMBL8433089 1.00 KDM4E (0.48) KDM4EANPEPERAP2ALDH1A1TSHR
SCHEMBL11328260 1.00 KDM4E (0.48) KDM4EANPEPERAP2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10112889-B2 Continuous process for producing a surfactant in a tube reactor CLARIANT INTERNATIONAL LTD. (CH) 2018-10-30 US disclosed
US-20170305838-A1 Continuous Process For Producing A Surfactant In A Tube Reactor CLARIANT INTERNATIONAL LTD. (CH) 2017-10-26 US disclosed
CN-102850204-B A kind of method for splitting of (S)-2-aryl propionic non-steroid antiphlogistic XUZHOU MEDICAL COLLEGE (CN) 2015-08-19 CN disclosed
CN-104478703-A Preparation method of dextrorotatory flurbiprofen TAICANG YUNTONG BIOCHEMICAL ENGINEERING CO LTD 2015-04-01 CN disclosed
CN-104447283-A Preparation method for dextro-flurbiprofen TAICANG YUNTONG BIOCHEMICAL ENGINEERING CO LTD 2015-03-25 CN disclosed
CN-102408313-B Preparation method of R-3-butyne-2-alochol ZHEJIANG APELOA KANGYU PHARMACEUTICAL CO LTD 2014-03-26 CN disclosed
CN-102850204-A Resolution method of (S)-2-arylpropionic acid non-steroidal anti-inflammatory drug XUZHOU MEDICAL COLLEGE 2013-01-02 CN disclosed
CN-101928214-B Method for synthesizing dexketoprofen trometamol HUANGSHI SHIXING PHARMACEUTICAL CO LTD 2012-12-19 CN disclosed
US-20120157560-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF XL TERRA, INC. (US) 2012-06-21 US disclosed
US-20120136070-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF XL TERRA, INC. (US) 2012-05-31 US disclosed
CN-101928214-A Method for synthesizing dexketoprofen trometamol HUANGSHI SHIXING PHARMACEUTICAL CO LTD 2010-12-29 CN disclosed
WO-2010138842-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF XLTERRA, INC. (US) 2010-12-02 WO disclosed
US-20100234228-A1 NOVEL SURFACTANTS AND FORMULATIONS MONSANTO TECHNOLOGY LLC (US) 2010-09-16 US disclosed
CN-101514156-A Method for recycling naproxen resolution solvent, resolving agent and by-product by overgravitational field ZHEJIANG CHARIOTEER PHARMACEUT (CN) 2009-08-26 CN 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-20120136070-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF KHK, HKDC1, HK2 KDM4E 442/4885ANPEP 3699/4885ERAP2 2457/4885
US-20100234228-A1 NOVEL SURFACTANTS AND FORMULATIONS PHOSPHO1, GNMT, DDT KDM4E 825/4885ANPEP 548/4885ERAP2 2412/4885
US-20170305838-A1 Continuous Process For Producing A Surfactant In A Tube Reactor FASN, TECR, TERT KDM4E 4058/4885ANPEP 3837/4885ERAP2 4742/4885
US-20120157560-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF KHK, HKDC1, HK2 KDM4E 442/4885ANPEP 3699/4885ERAP2 2457/4885
US-10112889-B2 Continuous process for producing a surfactant in a tube reactor FASN, TECR, TERT KDM4E 4058/4885ANPEP 3837/4885ERAP2 4742/4885

“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.