SCHEMBL4402791

SCHEMBL4402791

CC(C)(C)Cc1cccc2cc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.46
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
AR P10275 1/20 0.44
KEAP1 Q14145 1/20 0.41
PDPK1 O15530 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
BACE1 P56817 1/20 0.38
BCHE P06276 1/20 0.37

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
SCHEMBL28362475 0.83 AHR (0.44) AHRNR3C1PGRNR3C2AR
SCHEMBL593512 0.79 AHR (0.50) AHRNR3C1PGRNR3C2AR
SCHEMBL14256041 0.77 AHR (0.42) AHRNR3C1PGRNR3C2AR
Methane SCHEMBL27929614 0.77 AHR (0.48) AHRNR3C1PGRNR3C2AR
SCHEMBL1452618 0.76 AHR (0.47) AHRNR3C1PGRNR3C2AR
SCHEMBL21334962 0.75 AHR (0.32) AHR
SCHEMBL8040464 0.75 AHR (0.50) AHRNR3C1PGRNR3C2AR
SCHEMBL2399846 0.75 AHR (0.50) AHRNR3C1PGRNR3C2AR
SCHEMBL29869958 0.75 AHR (0.50) AHRNR3C1PGRNR3C2AR
SCHEMBL2260333 0.75 AHR (0.50) AHRNR3C1PGRNR3C2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2023-12-05 US disclosed
US-20220177462-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-06-09 US disclosed
US-11014921-B2 Therapeutic compounds and methods of use thereof REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-05-25 US disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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 (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-11014921-B2 Therapeutic compounds and methods of use thereof CD47, C3AR1, HLA-DRB1 AHR 3582/4885NR3C1 168/4885PGR 2391/4885
US-20220177462-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 AHR 2564/4885NR3C1 1534/4885PGR 2313/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK AHR 1325/4885NR3C1 3222/4885PGR 1477/4885
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases KEAP1, GOT2, COL1A1 AHR 76/4885NR3C1 2355/4885PGR 4029/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 AHR 382/4885NR3C1 2097/4885PGR 2707/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK AHR 1325/4885NR3C1 3222/4885PGR 1477/4885

“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.