SCHEMBL2238188

SCHEMBL2238188

COc1ccc(CCC(C)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.53
▸ CALM1 P0DP23 1/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ADRB3 P13945 3/20 0.50
▸ ADRB2 P07550 2/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ F2RL1 P55085 1/20 0.50

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
SCHEMBL2942342 1.00 HTT (0.59) HTTSMN1; SMN2ALDH1A1TAAR1CALM1
Carbon Monoxide SCHEMBL6904840 0.93 ALDH1A1 (0.54) HTTSMN1; SMN2ALDH1A1TAAR1CALM1
SCHEMBL10697363 0.89 CALM1 (0.59) HTTSMN1; SMN2ALDH1A1TAAR1CALM1
SCHEMBL12888466 0.89 CALM1 (0.59) HTTSMN1; SMN2ALDH1A1TAAR1CALM1
SCHEMBL7277594 0.86 HTT (0.56) HTTSMN1; SMN2ALDH1A1TAAR1CALM1
SCHEMBL7604631 0.85 HTT (0.56) HTTSMN1; SMN2ALDH1A1TAAR1CALM1
SCHEMBL8338309 0.84 CYP1A2 (0.58) HTTSMN1; SMN2KDM4EMAPT
SCHEMBL11079473 0.84 CYP1A2 (0.58) HTTSMN1; SMN2KDM4EMAPT
SCHEMBL879606 0.83 HTT (0.62) HTTSMN1; SMN2ALDH1A1TAAR1CALM1
SCHEMBL21592910 0.82 SMN1; SMN2 (0.53) HTTSMN1; SMN2ALDH1A1TAAR1CALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116043244-A Method for preparing alpha, beta-unsaturated ketone by electrocatalytic oxidation of alcohol 北京化工大学 2023-05-02 — — CN claimed
CN-115385805-A Method for synthesizing dobutamine hydrochloride 广州仁恒医药科技股份有限公司 2022-11-25 — — CN claimed
CN-119013316-A Method for producing polyisobutene succinic anhydride 巴斯夫欧洲公司 2024-11-22 — — CN disclosed
CN-119013315-A Method for producing polyisobutene succinic anhydride 巴斯夫欧洲公司 2024-11-22 — — CN disclosed
US-20240376245-A1 COPOLYMERISATION OF ALDEHYDES AND VINYL ETHERS BASF SE (DE) 2024-11-14 — — US disclosed
EP-4460492-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE (INSERM) Institut National de la Santé et de la Recherche Médicale (FR) 2024-11-13 — — EP disclosed
CN-118679194-A Medium molecular weight polyisobutenes with high content of certain double bond isomers 巴斯夫欧洲公司 2024-09-20 — — CN disclosed
CN-118679193-A Medium molecular weight polyisobutenes having a particular double bond isomer distribution 巴斯夫欧洲公司 2024-09-20 — — CN disclosed
EP-4406982-A2 PRODUCTION OF ISOBUTYLENE HOMO- OR COPOLYMER DERIVATIVES BASF SE (DE) 2024-07-31 — — EP disclosed
EP-4122971-B1 COPOLYMERISATION OF ALDEHYDES AND VINYL ETHERS BASF SE (DE) 2024-06-19 — — EP disclosed
CN-117751155-A Copolymerization of aldehydes and vinyl ethers 巴斯夫欧洲公司 2024-03-22 — — CN disclosed
US-20080220487-A1 Molecular design of thermostable alcohol dehydrogenase for synthesis for chiral aromatic alcohols THE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2008-09-11 — — US disclosed
WO-2008013949-A2 MOLECULAR DESIGN OF THERMOSTABLE ALCOHOL DEHYDROGENASE FOR SYNTHESIS FOR CHIRAL AROMATIC ALCOHOLS MICHIGAN STATE UNIVERSITY (US) 2008-01-31 — — WO disclosed
WO-2007102679-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-09-13 — — WO disclosed
US-6821783-B1 FOR PI-ORBITAL CONTAINING SUBSTRATE FOR SUBSEQUENT SYNTHESIS BY COMBINATORIAL CHEMISTRY/MULTIPLE PARALLEL SYNTHESIS (MPS); SOLID PHASE SYNTHESIS ASTRAZENECA AB (SE) 2004-11-23 — — US disclosed
EP-1100759-B1 TRANSITION METAL COMPLEXES AS LINKERS ASTRAZENECA AB (SE) 2003-03-26 — — EP disclosed
EP-1100759-A1 TRANSITION METAL COMPLEXES AS LINKERS AstraZeneca AB (SE) 2001-05-23 — — EP disclosed
WO-2000007966-A1 TRANSITION METAL COMPLEXES AS LINKERS ASTRAZENECA AB (SE) 2000-02-17 — — WO disclosed
US-5135955-A Anticoagulants or antifungal activity ELI LILLY AND COMPANY (US) 1992-08-04 — — US disclosed
EP-0339878-A2 Propanamine derivatives ELI LILLY AND COMPANY (US) 1989-11-02 — — 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 (1 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-20080220487-A1 Molecular design of thermostable alcohol dehydrogenase for synthesis for chiral aromatic alcohols ADH5, ADH1C, ADH1A HTT 2754/4885SMN1; SMN2 3285/4885ALDH1A1 6/4885

“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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