SCHEMBL9146183

SCHEMBL9146183

CC(C)CCCc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.48
▸ PPARG P37231 2/20 0.47
▸ PPARA Q07869 2/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ IGF1R P08069 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ GRIN2D O15399 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ KCNH2 Q12809 5/20 0.43
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42

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
SCHEMBL12968209 0.94 IGF1R (0.48) AOC3PPARGPPARATAAR1SLC6A2
SCHEMBL7864094 0.92 KCNH2 (0.49) AOC3PPARGPPARATAAR1SLC6A2
SCHEMBL14415406 0.88 MAOB (0.48) AOC3PPARGPPARATAAR1SLC6A2
SCHEMBL436099 0.86 AOC3 (0.52) AOC3TAAR1SLC6A2SLC6A3KCNH2
Ammonia Solution, Strong SCHEMBL10725614 0.84 AOC3 (0.50) AOC3TAAR1SLC6A2SLC6A3KCNH2
Hydrochloric Acid SCHEMBL27666375 0.84 AOC3 (0.50) AOC3TAAR1SLC6A2SLC6A3KCNH2
SCHEMBL3472193 0.83 SLC6A2 (0.59) AOC3PPARGPPARATAAR1SLC6A2
SCHEMBL3359190 0.82 PPARG (0.44) AOC3PPARGPPARATAAR1SLC6A2
Bromide SCHEMBL14833290 0.82 SLC6A2 (0.57) AOC3PPARGPPARATAAR1SLC6A2
SCHEMBL21131657 0.82 PPARA (0.44) AOC3PPARGPPARATAAR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110563660-B Method for reducing 1,3,4 triazole substituent in 1,2,4-triazole alkylation reaction process 江苏七洲绿色化工股份有限公司 2022-11-11 — — CN claimed
CN-107176929-B Method for preparing 1H-tebuconazole 江苏剑牌农化股份有限公司 2020-06-09 — — CN claimed
CN-110563660-B Method for reducing 1,3,4 triazole substituent in 1,2,4-triazole alkylation reaction process 江苏七洲绿色化工股份有限公司 2022-11-11 — — CN disclosed
US-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2021-02-02 — — US disclosed
CN-107176929-B Method for preparing 1H-tebuconazole 江苏剑牌农化股份有限公司 2020-06-09 — — CN disclosed
CN-110563660-A Method for reducing 1,3, 4-triazole substituent in alkylation reaction process of 1,2, 4-triazole 江苏七洲绿色化工股份有限公司 2019-12-13 — — CN disclosed
US-9890178-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-02-13 — — US disclosed
US-9890178-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-02-13 — — US disclosed
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 — — US disclosed
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 — — US disclosed
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 — — US disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 — — US disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 — — US disclosed
WO-2011103485-A1 FUSED TETRACYCLIC PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 — — WO disclosed
US-20110034463-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 — — US disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 — — US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 — — US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 — — US disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 — — WO disclosed
US-5408033-A Process for the preparation of an epoxide from ketones using an alcohol or ether catalyst MILES INC. (US) 1995-04-18 — — 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 (5 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-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AOC3 375/4885PPARG 2423/4885PPARA 1877/4885
US-20110034463-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF GBA3, CLPP, PEX3 AOC3 1550/4885PPARG 4139/4885PPARA 3784/4885
US-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use PLK1, POLR1E, POLK AOC3 4673/4885PPARG 2984/4885PPARA 2542/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C AOC3 341/4885PPARG 3060/4885PPARA 2762/4885
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AOC3 375/4885PPARG 2423/4885PPARA 1877/4885

“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.

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