SCHEMBL6580596

SCHEMBL6580596

N#CC[C@H](O)COCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.62
CA2 P00918 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
MAPK1 P28482 1/20 0.50
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
AGER Q15109 1/20 0.46
CA4 P22748 1/20 0.44
TACR1 P25103 2/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL27686748 1.00 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL8328277 1.00 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL397022 0.83 CA1 (0.78) CA1CA2CA7CA9MAPK1
SCHEMBL10493999 0.83 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL9870444 0.83 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL9870455 0.83 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL3325707 0.82 TSHR (0.50) CA1CA2CA7CA9MAPK1
SCHEMBL15939041 0.80 CA1 (0.58) CA1CA2CA7CA9MAPK1
SCHEMBL7153591 0.80 CA1 (0.76) CA1CA2CA7CA9MAPK1
SCHEMBL4898269 0.79 TSHR (0.47) CA1CA2CA7CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101130538-A Method for preparing (4R-Cis)-6-methylol-2, 2-dimethyl-1,3-dioxane-4-tert-butyl acetate UNIV ZHEJIANG (CN) 2008-02-27 CN claimed
CN-106382126-B Supporting hydraulic device and its working method in a kind of high flexibility mortar working surface construction 徐州工程学院 2019-02-26 CN disclosed
CN-106382126-A Support hydraulic device in high-flexibility mortar working face construction and working method thereof 徐州工程学院 2017-02-08 CN disclosed
WO-2014203045-A1 A NOVEL, GREEN AND COST EFFECTIVE PROCESS FOR SYNTHESIS OF TERT-BUTYL (3R,5S)-6-OXO-3,5-DIHYDROXY-3,5-O-ISOPROPYLIDENE-HEXANOATE LUPIN LIMITED (IN) 2014-12-24 WO disclosed
CN-101130538-A Method for preparing (4R-Cis)-6-methylol-2, 2-dimethyl-1,3-dioxane-4-tert-butyl acetate UNIV ZHEJIANG (CN) 2008-02-27 CN disclosed
CN-1932031-A Enzyme resolving process for preparing chiral beta-hydroxy nitrile UNIV ZHEJIANG (CN) 2007-03-21 CN disclosed
CN-1923792-A (S) 6-arylmethyl-5-hydroxyl-3-oxy-hecanoic acid t-butyl ester and preparation method thereof UNIV ZHEJIANG (CN) 2007-03-07 CN disclosed
US-20040138160-A1 Preventive/therapeutic method for cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-15 US disclosed
US-20040116330-A1 Diagnosing or specifying a growth factor receptor expressed in cancer cells, and selectively inhibiting all or a part of the growth factor receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
CN-1487935-A Improved water-soluble pharmaceutical compositions ����ҩƷ��ҵ��ʽ���� 2004-04-07 CN disclosed
US-6716863-B2 TYROSINE KINASE INHIBITORS; ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-06 US disclosed
US-20040058956-A1 Pharmaceutical composition having an improved water solubility TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-25 US disclosed
US-20040053972-A1 Medicinal compositions having improved absorbability TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-18 US disclosed
US-20040024035-A1 Heterocyclic compounds, their production and use TASAKA AKIHIRO (JP) 2004-02-05 US disclosed
EP-1350792-A1 MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1350793-A1 MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
CN-1444582-A Heterocyclic compound, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-24 CN disclosed
EP-1268473-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
US-20020173526-A1 Heterocyclic compounds their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-21 US disclosed
WO-2001077107-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-18 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 (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-20040024035-A1 Heterocyclic compounds, their production and use ABL1, ROS1, MAPK1 CA1 2025/4885CA2 972/4885CA7 1085/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 CA1 1865/4885CA2 845/4885CA7 1033/4885
US-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 CA1 1778/4885CA2 729/4885CA7 532/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 CA1 2468/4885CA2 964/4885CA7 2543/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 CA1 674/4885CA2 271/4885CA7 234/4885

“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.