SCHEMBL873335

SCHEMBL873335

CCc1cncc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
PRKCZ Q05513 1/20 0.42
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
ADRA1A P35348 2/20 0.41
ATM Q13315 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PDE5A O76074 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CYP17A1 P05093 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
CYP2C19 P33261 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 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
Anisole SCHEMBL27710875 0.87 CYP11B1 (0.51) CYP11B1CYP11B2CYP17A1CYP2C19CYP1A2
SCHEMBL6114529 0.84 CYP11B1 (0.45) CYP11B1CYP11B2PRKCZADRA2AADRA2B
SCHEMBL19383227 0.82 PDE10A (0.48) CYP11B1CYP11B2ATMCYP1A2PDE10A
SCHEMBL12854176 0.82 CYP11B1 (0.44) CYP11B1CYP11B2PRKCZPDE5APDE3B
SCHEMBL6114713 0.81 TLR8 (0.45) CYP11B1CYP11B2PRKCZADORA1ALDH1A1
SCHEMBL2258454 0.81 CYP11B1 (0.49) CYP11B1CYP11B2PRKCZADRA2AADRA2B
SCHEMBL12853967 0.80 CYP11B1 (0.42) CYP11B1CYP11B2PRKCZADRA2AADRA2B
SCHEMBL6114616 0.80 TLR8 (0.46) CYP11B1CYP11B2ATMALDH1A1HSD17B10
SCHEMBL12854049 0.80 CYP1A2 (0.47) CYP11B1CYP11B2PRKCZADRA2AADRA2B
SCHEMBL1272086 0.80 CYP11B1 (0.42) CYP11B1CYP11B2PRKCZADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796800-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2017-10-24 US claimed
US-20160108153-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2016-04-21 US claimed
US-9249244-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2016-02-02 US claimed
EP-2619233-A1 PROCESS FOR PRODUCING POLYDIENES Bridgestone Corporation (JP) 2013-07-31 EP claimed
WO-2012040026-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2012-03-29 WO claimed
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-07-11 US disclosed
EP-3641776-B1 ATROPISOMERISM FOR ENHANCED KINASE INHIBITOR SELECTIVITY SAN DIEGO STATE UNIV RESEARCH FOUNDATION (US) 2023-10-18 EP disclosed
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-10-05 US disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
EP-4245743-A1 METHOD FOR PREPARATION OF DEUTERATED ANTHRACENE COMPOUND, REACTION COMPOSITION, DEUTERATED ANTHRACENE COMPOUND, AND COMPOSITION Lg Chem, Ltd. (KR) 2023-09-20 EP disclosed
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof 280 Bio, Inc (US) 2023-08-03 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US disclosed
US-7449479-B2 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 US disclosed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US disclosed
US-20080176815-A1 Compounds that interact with kinases ALCHEMIA LIMITED (AU) 2008-07-24 US disclosed
US-7378422-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-05-27 US disclosed
US-7291623-B2 Compounds that interact with kinases ALCHEMIA LIMITED (AU) 2007-11-06 US disclosed
US-4396619-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1983-08-02 US disclosed
US-4382932-A Isoquinolinium substituted cephalosporins ELI LILLY AND COMPANY (US) 1983-05-10 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 (7 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-20080176815-A1 Compounds that interact with kinases MAP3K6, MAP3K20, MAP4K2 CYP11B1 1304/4885CYP11B2 1420/4885PRKCZ 198/4885
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof NRAS, KRAS, RAB8A CYP11B1 16/4885CYP11B2 17/4885PRKCZ 3261/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL CYP11B1 2499/4885CYP11B2 2044/4885PRKCZ 1929/4885
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF AZI2, HDAC5, HDAC4 CYP11B1 1136/4885CYP11B2 744/4885PRKCZ 1331/4885
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 CYP11B1 1192/4885CYP11B2 1788/4885PRKCZ 874/4885
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 CYP11B1 1317/4885CYP11B2 1289/4885PRKCZ 12/4885
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers HSPB1, HSF1, HSPE1 CYP11B1 475/4885CYP11B2 379/4885PRKCZ 1313/4885

“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.