SCHEMBL6435720

SCHEMBL6435720

N#Cc1ccc(C2CCCC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.42
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
KCNH2 Q12809 1/20 0.42
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
GRIA4 P48058 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL5071326 0.95 CYP19A1 (0.43) CYP19A1CYP11B1CYP11B2KCNH2DDB1
SCHEMBL27219397 0.77 ALDH1A1 (0.39) CYP19A1CYP11B1CYP11B2KCNH2DDB1
SCHEMBL27219380 0.77 KDM1A (0.40) CYP19A1CYP11B1CYP11B2KCNH2DDB1
SCHEMBL17202422 0.76 TRPV4 (0.41) CYP11B1CYP11B2
SCHEMBL21452585 0.76 DRD2 (0.49)
SCHEMBL512106 0.76 SRD5A1 (0.41) RAB9AALDH1A1
SCHEMBL6069795 0.76 TLR4 (0.35) DDB1CRBNL3MBTL1CA1CA2
SCHEMBL4917555 0.76 LIG1 (0.40) CYP19A1KCNH2MAOBNPC1LMNA
SCHEMBL361341 0.76 LMNA (0.43) CYP19A1CYP11B2NPC1ALDH1A1LMNA
SCHEMBL361599 0.75 DDB1 (0.48) DDB1CRBNL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158340-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2024-05-16 US disclosed
WO-2022235875-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SαAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-11-10 WO disclosed
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 US disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 WO 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 (2 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-20240158340-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SAME AHR, CBR3, AADAC CYP19A1 494/4885CYP11B1 365/4885CYP11B2 210/4885
US-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 CYP19A1 1223/4885CYP11B1 150/4885CYP11B2 108/4885

“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.