SCHEMBL288797

SCHEMBL288797

CCOc1c(CC)cccc1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PARP1 P09874 2/20 0.43
PARP10 Q53GL7 1/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
GABRA1 P14867 1/20 0.39
GABRB2 P47870 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
SCHEMBL3476584 0.98 PARP10 (0.46) TSHRMEN1KMT2APARP1PARP10
SCHEMBL17075501 0.84 PARP1 (0.44) MEN1KMT2APARP1PARP10LMNA
SCHEMBL1003309 0.84 CLCN2 (0.49) TSHRMEN1KMT2AHTTLMNA
SCHEMBL30597481 0.84 CLCN2 (0.49) TSHRMEN1KMT2AHTTLMNA
SCHEMBL28309500 0.83 L3MBTL1 (0.45) TSHRMEN1KMT2APARP1PARP10
SCHEMBL7534601 0.83 ALDH1A1 (0.49) TSHRMEN1KMT2APARP1PARP10
SCHEMBL3189724 0.83 TSHR (0.53) TSHRMEN1KMT2AHTTLMNA
Bicarbonate SCHEMBL5184188 0.83 CLCN2 (0.47) TSHRMEN1KMT2AHTTLMNA
SCHEMBL16959851 0.82 GABRA1 (0.42) TSHRMEN1KMT2ALMNAMAPT
SCHEMBL15312293 0.81 TSHR (0.59) TSHRMEN1KMT2AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110092778-A A method of using cheap metal copper for vilazodone intermediate and vilazodone drug 浙江工业大学 2019-08-06 CN claimed
CN-1518534-A Copper-catalyzed carbon-heteroatom and carbon-carbon bond formation 麻省理工学院 2004-08-04 CN claimed
CN-113227045-B Synthesis of substituted heterocycle fused gamma-carbolines 细胞内治疗公司 2024-04-26 CN disclosed
CN-113195450-B Synthesis of substituted heterocycle fused gamma-carbolines 细胞内治疗公司 2024-04-26 CN disclosed
WO-2024052739-A1 METHOD FOR THE SYNTHESIS OF BENZODIOXEPINONE COMPOUNDS AND INTERMEDIATES THEREOF AMBERNATH ORGANICS PVT. LTD. (IN) 2024-03-14 WO disclosed
CN-116157017-A 3- (pyridazin-4-yl) -5, 6-dihydro-4H-1, 2, 4-oxadiazine derivatives as fungicides for crop protection 拜耳公司 2023-05-23 CN disclosed
CN-116157397-A Heterocyclylpyridines as novel fungicides 拜耳公司 2023-05-23 CN disclosed
CN-116057056-A Azabicyclo-substituted heterocyclic compounds as fungicides 拜耳公司 2023-05-02 CN disclosed
EP-4167740-A1 ACTIVE COMPOUND COMBINATIONS Bayer Aktiengesellschaft (DE) 2023-04-26 EP disclosed
CN-115955916-A Active compound combinations 拜耳公司 2023-04-11 CN disclosed
CN-115915941-A Pyridine (thio) amides as fungicidal compounds 拜耳公司 2023-04-04 CN disclosed
EP-1330459-A2 TRIPTOLIDE ANALOGS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS EMORY UNIVERSITY (US) 2003-07-30 EP disclosed
EP-1330448-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS Atherogenics, Inc. (US) 2003-07-30 EP disclosed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 WO disclosed
WO-2003053359-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPYN-1-ONES AND THEIR USE TO TREAT DISORDERS ATHEROGENICS, INC. (US) 2003-07-03 WO disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
US-20030027806-A1 Triptolide analogs for the treatment of autoimmune and inflammatory disorders EMORY UNIVERSITY 2003-02-06 US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 WO disclosed
WO-2002028862-A2 TRIPTOLIDE ANALOGS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS EMORY UNIVERSITY (US) 2002-04-11 WO disclosed
WO-2001098291-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS ATHEROGENICS, INC. (US) 2001-12-27 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 (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-20030027806-A1 Triptolide analogs for the treatment of autoimmune and inflammatory disorders SSB, ENPP2, NOD1 TSHR 838/4885MEN1 1635/4885KMT2A 2777/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 TSHR 3079/4885MEN1 4655/4885KMT2A 435/4885

“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.