SCHEMBL445001

SCHEMBL445001

C[C@@H](O)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 1.00
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ATM Q13315 1/20 0.58
CYP2D6 P10635 2/20 0.58
CYP1A2 P05177 1/20 0.58
TSHR P16473 1/20 0.58
HIF1A Q16665 1/20 0.58
AOC3 Q16853 1/20 0.53
MMP9 P14780 1/20 0.50
SLC6A2 P23975 9/20 0.49
SLC6A4 P31645 9/20 0.49
SLC6A3 Q01959 9/20 0.49
KCNH2 Q12809 5/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL110360 1.00 UGT2B7 (1.00) UGT2B7MEN1KMT2AATMCYP2D6
SCHEMBL29609979 1.00 UGT2B7 (1.00) UGT2B7MEN1KMT2AATMCYP2D6
SCHEMBL30552890 1.00 UGT2B7 (1.00) UGT2B7MEN1KMT2AATMCYP2D6
SCHEMBL483413 1.00 UGT2B7 (1.00) UGT2B7MEN1KMT2AATMCYP2D6
SCHEMBL29397925 1.00 UGT2B7 (1.00) UGT2B7MEN1KMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL27389834 0.98 UGT2B7 (0.96) UGT2B7MEN1KMT2AATMCYP2D6
SCHEMBL10785006 0.93 UGT2B7 (0.88) UGT2B7MEN1KMT2AATMCYP2D6
SCHEMBL5610446 0.91 UGT2B7 (0.82) UGT2B7MEN1KMT2AATMCYP2D6
Acetic Acid SCHEMBL7514323 0.90 UGT2B7 (0.81) UGT2B7MEN1KMT2AATMCYP2D6
SCHEMBL3151796 0.84 UGT2B7 (0.73) UGT2B7MEN1KMT2AATMCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018094293-A1 A KIT FOR DETERMINING THE ABSOLUTE CONFIGURATION OF ALCOHOLS USING A COMPETING ENANTIOSELECTIVE CONVERSION APPROACH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-24 WO claimed
US-20240248028-A1 QUANTITATIVE CHIRALITY AND CONCENTRATION SENSING OF CHIRAL ANALYTES USING QUINONES, (HETERO)ARYL ISOCYANATES, AND/OR (HETERO)ARYL ISOTHIOCYANATES GEORGETOWN UNIVERSITY 2024-07-25 US disclosed
WO-2022216359-A1 QUANTITATIVE CHIRALITY AND CONCENTRATION SENSING OF CHIRAL ANALYTES USING QUINONES, ( HETERO)ARYL ISOCYANATES, AND/OR (HETERO)ARYL ISOTHIOCYANATES GEORGETOWN UNIVERSITY (US) 2022-10-13 WO disclosed
WO-2018094293-A1 A KIT FOR DETERMINING THE ABSOLUTE CONFIGURATION OF ALCOHOLS USING A COMPETING ENANTIOSELECTIVE CONVERSION APPROACH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-24 WO disclosed
US-9969739-B2 Tricyclic chiral compounds and their use in asymmetric catalysis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2018-05-15 US disclosed
US-9969739-B2 Tricyclic chiral compounds and their use in asymmetric catalysis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2018-05-15 US disclosed
US-9631205-B2 Protein complex having activity catalyzing asymmetric oxidation reaction and process for producing the same SANYO FOODS CO., LTD. (JP) 2017-04-25 US disclosed
US-9556457-B2 Protein complex having activity catalyzing asymmetric oxidation reaction and process for producing the same SANYO FOODS CO., LTD. (JP) 2017-01-31 US disclosed
US-20160207932-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS UNIV NANYANG TECH (SG) 2016-07-21 US disclosed
US-20160207932-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS UNIV NANYANG TECH (SG) 2016-07-21 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
US-20030125590-A1 Fluorous triphase and other multiphase systems NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-03 US disclosed
US-20030078444-A1 Fluorous triphase and other multiphase systems NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-24 US disclosed
WO-2002100802-A2 FLUOROUS TRIPHASE AND OTHER MULTIPHASE SYSTEMS UNIVERSITY OF PITTSBURGH (US) 2002-12-19 WO 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
US-6218581-B1 SOLVENT EXTRACTION OF WATER SOLUBLE PROTEIN FROM BEAN OR GRAIN; ISOLATION, PURIFICATION OF ACYLATED FORM; HYDROLYSIS SANYO SHOKUHIN CO., LTD. (JP) 2001-04-17 US disclosed
CN-1289263-A Method for separating substance mixtures using polysaccharides AVANTIS RES & TECHNOLOGIES GMB (DE) 2001-03-28 CN disclosed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 US disclosed
EP-0978567-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOLS SANYO SHOKUHIN CO., LTD. (JP) 2000-02-09 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 (4 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-20030078444-A1 Fluorous triphase and other multiphase systems NAF1, SLC29A1, PFAS UGT2B7 1149/4885MEN1 350/4885KMT2A 2568/4885
US-20160207932-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS COX6C, CBR3, CYCS UGT2B7 3006/4885MEN1 2805/4885KMT2A 2171/4885
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 UGT2B7 3531/4885MEN1 2356/4885KMT2A 2853/4885
US-20030125590-A1 Fluorous triphase and other multiphase systems DDT, CNDP2, PFAS UGT2B7 390/4885MEN1 602/4885KMT2A 1981/4885

“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.