Sugi Predict

Sugi Predict / Compounds / SCHEMBL9609552

SCHEMBL9609552

SCHEMBL9609552

CC(=CC=O)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ LMNA P02545 5/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ OGG1 O15527 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALOX12 P18054 1/20 0.38

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
SCHEMBL28321251 0.92 MAPT (0.50) CA1CA2CES2CES1LMNA
SCHEMBL7911566 0.80 ESR1 (0.54) CA1CA2LMNAMAPTALDH1A1
SCHEMBL11649733 0.80 ALDH1A1 (0.46) CES2CES1LMNARAB9AMAPT
SCHEMBL9609532 0.80 ALDH1A1 (0.46) CES2CES1LMNARAB9AMAPT
SCHEMBL30450782 0.80 ALDH1A1 (0.46) CES2CES1LMNARAB9AMAPT
SCHEMBL24554809 0.78 CA1 (0.46) CA1CA2CES2CES1LMNA
SCHEMBL3239893 0.78 CA1 (0.46) CA1CA2CES2CES1LMNA
SCHEMBL9510836 0.78 PTGS1 (0.47) CA1CA2CES2CES1LMNA
SCHEMBL6554967 0.78 ERN1 (0.32) —
SCHEMBL14549176 0.78 ESR1 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942553-A A kind of synthesis of tri- substituted-tetrahydro 2H- pyran-2-one compound of chirality 3,4,6- and its method for transformation 大连理工大学 2019-06-28 — — CN disclosed
CN-106414392-B 6,7,8, 9-tetrahydro-5H-benzo [7] annulene-2-alkylamine compound and application thereof 华东理工大学 2019-05-14 — — CN disclosed
CN-109563029-A The method for being used to prepare indane ketone 奇华顿股份有限公司 2019-04-02 — — CN disclosed
CN-108129389-A A kind of N- benzyl pyrazoles class compound and preparation method thereof 西华师范大学 2018-06-08 — — CN disclosed
CN-108117534-A The oxygen-containing cycloaliphatic ring methylamines of benzo 华东理工大学 2018-06-05 — — CN disclosed
CN-108084125-A Benzheterocycle alkyl amine compound and application thereof 华东理工大学 2018-05-29 — — CN disclosed
CN-107531613-A Benzo cycloaliphatic ring substituted alkylamine class compound and application thereof 华东理工大学 2018-01-02 — — CN disclosed
CN-105566262-B Alkyl amine compound of benzofuran 7 and application thereof 华东理工大学 2017-10-27 — — CN disclosed
CN-106986861-A Antiviral compound 艾伯维巴哈马有限公司 2017-07-28 — — CN disclosed
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 — — EP disclosed
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-08-22 — — US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 — — US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 — — US disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 — — US disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 — — US disclosed
WO-2011108672-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2011-09-09 — — WO disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 — — US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 — — US disclosed
WO-2010140636-A1 ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2010-12-09 — — WO disclosed
CN-86105597-A Make the method for novel pyrazoline compounds — 1987-02-25 — — 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 (3 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 CA1 73/4885CA2 244/4885CES2 2014/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 CA1 72/4885CA2 440/4885CES2 2776/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 CA1 181/4885CA2 438/4885CES2 1807/4885

“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.