SCHEMBL6943161

SCHEMBL6943161

Cn1cc(CCC=O)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.63
GPR84 Q9NQS5 1/20 0.61
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
ALDH1A1 P00352 1/20 0.53
IMPDH2 P12268 1/20 0.53
AHR P35869 1/20 0.50
CA2 P00918 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC6A4 P31645 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48

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
SCHEMBL32679648 1.00 HTR2A (0.63) HTR2AGPR84KEAP1NFE2L2ALDH1A1
SCHEMBL15453266 0.90 HTR2A (0.59) HTR2AGPR84KEAP1NFE2L2ALDH1A1
SCHEMBL6939255 0.83 HTR2A (0.63) HTR2AGPR84KEAP1NFE2L2ALDH1A1
SCHEMBL29955437 0.83 GPR84 (0.65) HTR2AGPR84KEAP1NFE2L2ALDH1A1
SCHEMBL2010595 0.83 GPR84 (0.65) HTR2AGPR84KEAP1NFE2L2ALDH1A1
SCHEMBL28680598 0.82 HTR2A (0.66) HTR2AGPR84KEAP1NFE2L2ALDH1A1
SCHEMBL18328036 0.81 HTR2A (0.69) HTR2AGPR84KEAP1NFE2L2ALDH1A1
SCHEMBL7004405 0.80 HTR2A (0.73) HTR2AGPR84KEAP1NFE2L2ALDH1A1
SCHEMBL9889542 0.79 HTR2A (0.71) HTR2AGPR84KEAP1NFE2L2ALDH1A1
SCHEMBL256689 0.78 GPR84 (0.74) HTR2AGPR84KEAP1NFE2L2ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12454502-B2 Synthesis of deuterated aldehydes ARIZONA BOARD OF REGENTS ON BEHALF OF ATHE UNIVERSITY OF ARIZONA (US) 2025-10-28 US disclosed
US-20220356139-A1 SYNTHESIS OF DEUTERATED ALDEHYDES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2022-11-10 US disclosed
WO-2021045879-A1 SYNTHESIS OF DEUTERATED ALDEHYDES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-03-11 WO disclosed
US-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-06 US disclosed
EP-2682399-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS Meiji Seika Pharma Co., Ltd. (JP) 2014-01-08 EP disclosed
CN-103391944-A Novel macrolide intermediate and novel production process MEIJI SEIKA PHARMA CO LTD 2013-11-13 CN disclosed
US-6596738-B1 Inhibiting activity to adenosine deaminase (hereinafter described as ADA) An adenosine deaminase inhibiting agent comprising a compound of the formula (I): FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
EP-0279990-A2 Use of heterocyclic derivatives in the treatment of cognitive disorders GLAXO GROUP LIMITED (GB) 1988-08-31 EP disclosed
EP-0266899-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1988-05-11 EP 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-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MRPL21, PIGS, CYP51A1 HTR2A 2225/4885GPR84 2353/4885KEAP1 3524/4885
US-12454502-B2 Synthesis of deuterated aldehydes ADH1C, ADH1A, CBR1 HTR2A 1354/4885GPR84 3563/4885KEAP1 399/4885
US-20220356139-A1 SYNTHESIS OF DEUTERATED ALDEHYDES ADH1C, ADH1A, CBR1 HTR2A 1354/4885GPR84 3563/4885KEAP1 399/4885

“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.