SCHEMBL4038818

SCHEMBL4038818

Cc1cccnc1CCO

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
HSD17B10 Q99714 1/20 0.42
SSTR4 P31391 1/20 0.42
KDM4E B2RXH2 2/20 0.40
PLAU P00749 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DAO P14920 1/20 0.39
ADORA2A P29274 4/20 0.38
ADORA1 P30542 3/20 0.38
MAPT P10636 1/20 0.38
CXCR4 P61073 1/20 0.38
TKT P29401 2/20 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
SCHEMBL30391719 1.00 ALDH1A1 (0.45) ALDH1A1L3MBTL1NOS3NOS1NOS2
SCHEMBL20099915 0.86 CXCR4 (0.44) ALDH1A1L3MBTL1NOS3NOS1NOS2
SCHEMBL243610 0.83
SCHEMBL10245894 0.81 NOS2 (0.45) ALDH1A1L3MBTL1NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL11418372 0.81 NOS3 (0.45) ALDH1A1L3MBTL1NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL10765635 0.81 L3MBTL1 (0.57) ALDH1A1L3MBTL1NOS3NOS1NOS2
SCHEMBL14367869 0.80 PKM (0.48) ALDH1A1L3MBTL1NOS3NOS1NOS2
SCHEMBL27420489 0.79 CXCR4 (0.37) ALDH1A1L3MBTL1NOS3NOS1NOS2
SCHEMBL701433 0.79 NOS3 (0.48) ALDH1A1L3MBTL1NOS3NOS1NOS2
SCHEMBL30839509 0.79 NOS3 (0.48) ALDH1A1L3MBTL1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630566-B2 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2026-05-19 US disclosed
US-20240309020-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2024-09-19 US disclosed
US-20240182490-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2024-06-06 US disclosed
US-11964989-B2 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2024-04-23 US disclosed
CN-114615981-B KRAS G12D inhibitors 米拉蒂治疗股份有限公司 2024-04-12 CN disclosed
US-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 US disclosed
US-20230077225-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. 2023-03-09 US disclosed
WO-2022210479-A1 USE OF AZEPANE DERIVATIVE FOR TREATMENT, AMELIORATION OR PREVENTION OF κ-OPIOID RECEPTOR-RELATED DISEASES 日本ケミファ株式会社 2022-10-06 WO disclosed
US-20220315601-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2022-10-06 US disclosed
US-11453683-B1 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2022-09-27 US disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
EP-1507511-A1 PERSONAL CARE COMPOSITIONS WITH HYDROXY AMINE NEUTRALIZED POLYMERS UNILEVER PLC (GB) 2005-02-23 EP disclosed
EP-1507512-A1 COSMETIC COMPOSITIONS WITH HYDROXY AMINE SALTS OF MALONIC ACID UNILEVER PLC (GB) 2005-02-23 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
US-20030228337-A1 Personal care compositions with hydroxy amine neutralized polymers UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-12-11 US disclosed
WO-2003099253-A1 PERSONAL CARE COMPOSITIONS WITH HYDROXY AMINE NEUTRALIZED POLYMERS UNILEVER PLC (GB) 2003-12-04 WO disclosed
WO-2003099252-A1 COSMETIC COMPOSITIONS WITH HYDROXY AMINE SALTS OF MALONIC ACID UNILEVER PLC (GB) 2003-12-04 WO disclosed
US-20030224023-A1 Cosmetic compositions with hydroxy amine salts of malonic acid UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-12-04 US disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 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 (10 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-20030224023-A1 Cosmetic compositions with hydroxy amine salts of malonic acid CUTA, TYR, DDC ALDH1A1 281/4885L3MBTL1 3352/4885NOS3 2350/4885
US-20230279025-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS ALDH1A1 2943/4885L3MBTL1 2715/4885NOS3 4813/4885
US-20230077225-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS ALDH1A1 2681/4885L3MBTL1 2705/4885NOS3 4805/4885
US-12630566-B2 KRas G12D inhibitors KRAS, NRAS, HRAS ALDH1A1 1816/4885L3MBTL1 3074/4885NOS3 4323/4885
US-20030228337-A1 Personal care compositions with hydroxy amine neutralized polymers CUTA, PARN, POLH ALDH1A1 1635/4885L3MBTL1 3879/4885NOS3 2065/4885
US-20240182490-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 ALDH1A1 3316/4885L3MBTL1 1519/4885NOS3 3903/4885
US-20220315601-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 ALDH1A1 3316/4885L3MBTL1 1519/4885NOS3 3903/4885
US-11964989-B2 KRas G12D inhibitors KRAS, NRAS, HRAS ALDH1A1 1957/4885L3MBTL1 3390/4885NOS3 4805/4885
US-11453683-B1 KRas G12D inhibitors KRAS, NRAS, HRAS ALDH1A1 2055/4885L3MBTL1 3454/4885NOS3 4801/4885
US-20240309020-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS ALDH1A1 2681/4885L3MBTL1 2705/4885NOS3 4805/4885

“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.