SCHEMBL84461

SCHEMBL84461

CC(C)c1ccc(OCCN(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.59
LTA4H P09960 2/20 0.58
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL3664139 0.91 KDM4E (0.65) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL22831355 0.89 KCNH2 (0.53) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL23074666 0.85 MEN1 (0.47) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL12204130 0.84 HRH3 (0.57) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL14923990 0.84 CHRNB2 (0.51) HRH3KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL14464042 0.84 ALDH1A1 (0.55) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL10824702 0.83 KMT2A (0.59) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL29129692 0.83 HRH3 (0.58) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL20322556 0.82 KCNH2 (0.47) HRH3KEAP1NFE2L2KDM4ESMN1; SMN2
SCHEMBL16204295 0.82 LTA4H (0.65) HRH3LTA4HKEAP1NFE2L2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12582963-B2 Separation matrix and method of separation CYTIVA BIOPROCESS R&D AB (SE) 2026-03-24 US disclosed
US-12343702-B2 Anionic exchange-hydrophobic mixed mode chromatography resin BIO-RAD LABORATORIES, INC. (US) 2025-07-01 US disclosed
US-20250196100-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESIN BIO-RAD LABORATORIES, INC. 2025-06-19 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
EP-4142930-B1 SEPARATION MATRIX AND METHOD OF SEPARATION PURIDIFY LTD (GB) 2024-05-08 EP disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2023-11-23 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
EP-1458392-B9 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2010-07-28 EP disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2008-02-07 US disclosed
US-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2008-02-07 US disclosed
US-7282498-B2 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION (US) 2007-10-16 US disclosed
US-7282498-B2 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION (US) 2007-10-16 US disclosed
US-20070087346-A1 Orthogonal gene switches CILIBERTO GENNARO 2007-04-19 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 (11 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-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 HRH3 82/4885LTA4H 311/4885KEAP1 336/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 HRH3 82/4885LTA4H 311/4885KEAP1 336/4885
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, SMAD3 HRH3 380/4885LTA4H 761/4885KEAP1 163/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 HRH3 3296/4885LTA4H 3035/4885KEAP1 2013/4885
US-20250196100-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESIN SLC7A1, ABCG2, MSR1 HRH3 6/4885LTA4H 1282/4885KEAP1 3946/4885
US-12582963-B2 Separation matrix and method of separation EPCAM, PA2G4, MAG HRH3 1754/4885LTA4H 2775/4885KEAP1 4329/4885
US-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NPSR1, GABRE, CHRNE HRH3 235/4885LTA4H 2197/4885KEAP1 4109/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS HRH3 2673/4885LTA4H 3332/4885KEAP1 499/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS HRH3 489/4885LTA4H 1864/4885KEAP1 2547/4885
US-20070087346-A1 Orthogonal gene switches TCF12, JUN, TCF7 HRH3 4142/4885LTA4H 3485/4885KEAP1 1203/4885
US-12343702-B2 Anionic exchange-hydrophobic mixed mode chromatography resin FCGRT, PBRM1, BCR HRH3 99/4885LTA4H 3846/4885KEAP1 3641/4885

“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.