Sugi Predict

Sugi Predict / Compounds / SCHEMBL1789210

SCHEMBL1789210

SCHEMBL1789210

CCOC(=O)c1ccc(C(C)CC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.59
▸ CA2 P00918 3/20 0.59
▸ CA12 O43570 2/20 0.59
▸ CA7 P43166 2/20 0.59
▸ CA9 Q16790 2/20 0.59
▸ CA14 Q9ULX7 2/20 0.59
▸ ESR1 P03372 1/20 0.59
▸ ESR2 Q92731 1/20 0.59
▸ LMNA P02545 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ MAOA P21397 1/20 0.58
▸ RAB9A P51151 2/20 0.54
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ HPGD P15428 4/20 0.51
▸ HTT P42858 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 2/20 0.50

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
SCHEMBL26673480 0.88 TSHR (0.49) CA1CA2CA12CA7CA9
SCHEMBL23898835 0.88 TSHR (0.49) CA1CA2CA12CA7CA9
SCHEMBL13144181 0.88 TSHR (0.49) CA1CA2CA12CA7CA9
SCHEMBL16746690 0.87 TSHR (0.45) CA1CA2CA12CA7CA9
SCHEMBL10899546 0.86 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL20963134 0.86 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL6659510 0.85 ALDH1A1 (0.53) ESR1RAB9AKMT2AMEN1TDP1
SCHEMBL24512103 0.85 ALDH1A1 (0.53) ESR1RAB9AKMT2AMEN1TDP1
SCHEMBL570567 0.85 LMNA (0.67) CA1CA2CA12CA7CA9
SCHEMBL3868908 0.85 CA1 (0.54) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249426-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2019-07-10 — — EP disclosed
US-9974790-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2018-05-22 — — US disclosed
US-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 — — US disclosed
US-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2017-03-16 — — US disclosed
CN-105762402-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery 三菱化学株式会社 2016-07-13 — — CN disclosed
CN-103078137-B Nonaqueous electrolyte solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORP. (JP) 2015-09-16 — — CN disclosed
US-9083058-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-14 — — US disclosed
CN-104600360-A NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP 2015-05-06 — — CN disclosed
US-8916298-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-12-23 — — US disclosed
US-8889302-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-18 — — US disclosed
US-20120308883-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-12-06 — — US disclosed
US-20120219854-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 — — US disclosed
US-20110123871-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMCIAL (JP) 2011-05-26 — — US disclosed
CN-101960662-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery MITSUBISHI CHEM CORP 2011-01-26 — — CN disclosed
EP-2249426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2010-11-10 — — EP disclosed
US-7799506-B2 Positive resist composition and pattern forming method using the same FUJIFILM CORPORATION (JP) 2010-09-21 — — US disclosed
US-20090087776-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 — — US disclosed
EP-1161411-A2 BENZYLIC HALOGENATION OF ALKYLBENZOIC ACID ESTERS ALBEMARLE CORPORATION (US) 2001-12-12 — — EP disclosed
WO-2000053564-A2 BENZYLIC HALOGENATION OF ALKYLBENZOIC ACID ESTERS ALBEMARLE CORPORATION (US) 2000-09-14 — — WO disclosed
US-6103926-A DIRECT PREPARATION OF A (1-HALOALKYL)BENZOIC ACID ESTER FROM AN ALKYLBENZOIC ACID ESTER BY SLOWLY FEEDING HALOGEN CONTINUOUSLY AND/OR INTERMITTENTLY TO AN AGITATED SOLUTION OF SAID ALKYLBENZOIC ACID ESTER IN A LIQUID HALOGEN-CONTAINING ALBEMARLE CORPORATION (US) 2000-08-15 — — 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 (1 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-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 CA1 4883/4885CA2 4482/4885CA12 4862/4885

“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.