SCHEMBL343916

SCHEMBL343916

Cc1ccc([C@@H](C)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
CHRNA7 P36544 1/20 0.46
UGT2B7 P16662 1/20 0.44
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 2/20 0.42
STAT3 P40763 1/20 0.39
PTPN5 P54829 1/20 0.38
LMNA P02545 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CA2 P00918 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
ESR1 P03372 1/20 0.38
PDCD1 Q15116 1/20 0.38
ESR2 Q92731 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL427794 1.00 ACHE (0.47) ACHETDP1NOS3NOS1CHRNA7
SCHEMBL3073684 1.00 ACHE (0.47) ACHETDP1NOS3NOS1CHRNA7
Ethane SCHEMBL11246075 0.97 NOS3 (0.45) ACHETDP1NOS3NOS1CHRNA7
SCHEMBL12807984 0.92 PTPN5 (0.47) ACHETDP1NOS3NOS1CHRNA7
SCHEMBL28483628 0.92 PTPN5 (0.47) ACHETDP1NOS3NOS1CHRNA7
SCHEMBL40655 0.87 NOS3 (0.54) TDP1NOS3NOS1UGT2B7ALDH1A1
SCHEMBL9331061 0.87 NOS3 (0.54) TDP1NOS3NOS1UGT2B7ALDH1A1
SCHEMBL9331190 0.87 NOS3 (0.54) TDP1NOS3NOS1UGT2B7ALDH1A1
SCHEMBL9331652 0.87 NOS3 (0.54) TDP1NOS3NOS1UGT2B7ALDH1A1
SCHEMBL8738417 0.86 HPGD (0.52) TDP1NOS3NOS1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114405437-B Photoelectrocatalysis device and application thereof 太原师范学院 2023-10-27 CN claimed
CN-114405437-A Photoelectrocatalysis device and application thereof 太原师范学院 2022-04-29 CN claimed
EP-4709725-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Progentos Therapeutics, Inc. (US) 2026-03-18 EP disclosed
WO-2024233642-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PROGENTOS THERAPEUTICS, INC. (US) 2024-11-14 WO disclosed
CN-118652881-A SOM-ZIF-8-PEG carrier immobilized enzyme and preparation method and application thereof 湖南理工学院 2024-09-17 CN disclosed
CN-114405437-B Photoelectrocatalysis device and application thereof 太原师范学院 2023-10-27 CN disclosed
EP-4257593-A1 CHIRAL MULTIDENTATE LIGAND AND USE THEREOF IN ASYMMETRIC HYDROGENATION SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2023-10-11 EP disclosed
WO-2023077643-A1 CHIRAL MULTIDENTATE LIGAND AND USE THEREOF IN ASYMMETRIC HYDROGENATION 凯特立斯(深圳)科技有限公司 2023-05-11 WO disclosed
US-20230124576-A1 CHIRAL MULTIDENTATE LIGAND, AND APPLICATION THEREOF IN ASYMMETRIC HYDROGENATION SHENZHEN CATALYS TECHNOLOGY CO., LTD (CN) 2023-04-20 US disclosed
US-20220220068-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-07-14 US disclosed
CN-114405437-A Photoelectrocatalysis device and application thereof 太原师范学院 2022-04-29 CN disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20080227978-A1 Converting a carbonyl group within a substrate to a chiral alcohol moiety by reacting the carbonyl containing substrate with an organoaluminium reagent in the presence of a Group 5-12 transition metal based catalyst which is complexed with a chiral ligand; excellent yields THE UNIVERSITY OF NOTTINGHAM 2008-09-18 US disclosed
EP-1134226-B1 Process for producing an optically active ruthenium-phosphine complex and process for producing an optically active alcohol by using the complex TAKASAGO PERFUMERY CO LTD (JP) 2007-01-03 EP disclosed
US-20030171544-A1 Alcohol dehydrogenase and use thereof DEGUSSA AG (DE) 2003-09-11 US disclosed
US-6596887-B2 Reacting a ruthenium-phosphine complex with a specific optically active chiral diamine to deactivate one of the enantiomers and with another diamine to activate the other enantiomers TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-07-22 US disclosed
EP-1241263-A1 Alcohol dehydrogenase and uses therefor Degussa AG (DE) 2002-09-18 EP disclosed
US-20010039354-A1 Process for producing an optically active ruthenium-phosphine complex and process for producing an optically active alcohol by using the complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-11-08 US disclosed
EP-1134226-A2 Process for producing an optically active ruthenium-phosphine complex and process for producing an optically active alcohol by using the complex Takasago International Corporation (JP) 2001-09-19 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 (6 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT ACHE 4162/4885TDP1 1290/4885NOS3 2923/4885
US-20220220068-A1 FUNGICIDAL ARYL AMIDINES CYP1A1, CYP1A2, CYP1B1 ACHE 744/4885TDP1 1424/4885NOS3 358/4885
US-20030171544-A1 Alcohol dehydrogenase and use thereof ADH5, ADH1A, ADH1C ACHE 1922/4885TDP1 1183/4885NOS3 3436/4885
US-20230124576-A1 CHIRAL MULTIDENTATE LIGAND, AND APPLICATION THEREOF IN ASYMMETRIC HYDROGENATION H1-4, CHRM1, CHRM2 ACHE 478/4885TDP1 3338/4885NOS3 2920/4885
US-20010039354-A1 Process for producing an optically active ruthenium-phosphine complex and process for producing an optically active alcohol by using the complex DRD4, PNMT, DRD1 ACHE 386/4885TDP1 3583/4885NOS3 1960/4885
US-20080227978-A1 Converting a carbonyl group within a substrate to a chiral alcohol moiety by reacting the carbonyl containing substrate with an organoaluminium reagent in the presence of a Group 5-12 transition metal based catalyst which is complexed with a chiral ligand; excellent yields ADH5, ADH1C, CYP2E1 ACHE 1349/4885TDP1 4730/4885NOS3 1798/4885

“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.