Sugi Predict

Sugi Predict / Compounds / SCHEMBL2776015

SCHEMBL2776015

SCHEMBL2776015

C(#Cc1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 1/20 0.60
▸ GRM5 P41594 1/20 0.55
▸ ALDH1A1 P00352 8/20 0.50
▸ HSD17B10 Q99714 5/20 0.50
▸ CYP2A6 P11509 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CYP1A2 P05177 5/20 0.46
▸ HPGD P15428 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ HPRT1 P00492 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MITF O75030 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAD52 P43351 1/20 0.45

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
SCHEMBL29661843 1.00 CHAT (0.60) CHATGRM5ALDH1A1HSD17B10CYP2A6
SCHEMBL6364668 0.97 CHAT (0.58) CHATGRM5ALDH1A1HSD17B10CYP2A6
SCHEMBL6364670 0.91 CHAT (0.68) CHATGRM5ALDH1A1HSD17B10CYP2A6
SCHEMBL29798114 0.91 CHAT (0.53) CHATGRM5ALDH1A1HSD17B10CYP2A6
SCHEMBL5014214 0.90 CHAT (0.52) CHATGRM5ALDH1A1HSD17B10CYP2A6
SCHEMBL29793886 0.89 CHAT (0.66) CHATGRM5ALDH1A1HSD17B10CYP2A6
Benzene SCHEMBL28841286 0.89 CHAT (0.66) CHATGRM5ALDH1A1HSD17B10CYP2A6
SCHEMBL2773275 0.89 CHAT (0.66) CHATGRM5ALDH1A1HSD17B10CYP2A6
SCHEMBL5881377 0.87 CA1 (0.50) CHATGRM5ALDH1A1HSD17B10CYP2A6
SCHEMBL28836680 0.87 ALDH1A1 (0.50) CHATGRM5ALDH1A1HSD17B10CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106883188-A A kind of benzodiazepine compounds of 5 hydrogen 1,4 and its synthetic method 上海交通大学 2017-06-23 — — CN claimed
CN-101245084-B Phosphine-substituted vinyl-containing metallocene catalyst, and preparation method and application thereof PETROCHINA CO LTD 2013-02-20 — — CN claimed
US-7595413-B2 Phosphine-substituted vinyl containing metallocene catalyst, preparation process and the application of the same PETROCHINA COMPANY LIMITED (CN) 2009-09-29 — — US claimed
EP-1958969-A1 A phosphine-substituted vinyl containing metallocene catalyst, preparation process and the application of the same Petrochina Company Limited (CN) 2008-08-20 — — EP claimed
CN-101245084-A Phosphine-substituted vinyl-containing metallocene catalyst, and preparation method and application thereof PETROCHINA CO LTD (CN) 2008-08-20 — — CN claimed
US-20080194854-A1 Phosphine-substituted vinyl containing metallocene catlyst, preparation process and the application of the same PETROCHINA COMPANY LIMITED (CN) 2008-08-14 — — US claimed
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 — — US claimed
CN-117285454-A Synthesis method of indole derivative and benzodipyrrole derivative 南京邮电大学 2023-12-26 — — CN disclosed
CN-113797978-B Preparation method and application of poly (triarylphosphine oxide) -supported palladium/copper bimetallic catalyst 青岛科技大学 2023-11-07 — — CN disclosed
US-20230150929-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 UNIV TEXAS (US) 2023-05-18 — — US disclosed
CN-116134015-A Selective acyclic nucleotide activating factor for CAMP sensor EPAC1 得克萨斯州大学系统董事会 2023-05-16 — — CN disclosed
EP-4121411-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-01-25 — — EP disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 — — CN disclosed
US-4097460-A DIPHENYLACETYLENE, DIPHENYLBUTADIYNE, MOLDING MATERIALS FOR HIGH TEMPERATURE APPLICATIONS HERCULES INCORPORATED (US) 1978-06-27 — — US disclosed
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 — — US disclosed
US-4026859-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 — — US disclosed
US-4026860-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 — — US disclosed
US-4026861-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 — — US disclosed
US-3993711-A THERMOSETTING RESINS; COUPLING AGENTS; CARBOXYLATED PREPOLYMER HERCULES INCORPORATED (US) 1976-11-23 — — US disclosed
US-3931093-A CURING HERCULES INCORPORATED (US) 1976-01-06 — — 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 (2 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-20230150929-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 CREB1, RAPGEF4, ATF4 CHAT 4762/4885GRM5 3549/4885ALDH1A1 3629/4885
US-20080194854-A1 Phosphine-substituted vinyl containing metallocene catlyst, preparation process and the application of the same PI4K2B, PI4K2A, CPNE4 CHAT 3488/4885GRM5 2950/4885ALDH1A1 3737/4885

“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.