SCHEMBL357741

SCHEMBL357741

CC(=O)C(C)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.49
MAOB P27338 1/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.44
MAPK1 P28482 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL1911343 1.00 ALDH1A1 (0.55) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL13983833 1.00 ALDH1A1 (0.55) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL138281 0.86 KMT2A (0.56) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL138280 0.86 KMT2A (0.56) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL1706675 0.86 KMT2A (0.56) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL27757196 0.86 KMT2A (0.56) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
Hydrochloric Acid SCHEMBL7686303 0.85 KMT2A (0.54) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
Hydrochloric Acid SCHEMBL8687505 0.85 KMT2A (0.54) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
Hydrochloric Acid SCHEMBL8687912 0.85 KMT2A (0.54) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL2382412 0.83 SLC1A3 (0.49) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 US disclosed
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-9102664-B2 Process for the preparation of triazole antifungal drug, its intermediates and polymorphs thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2015-08-11 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
US-6617475-B2 Prepared from prochiral alpha-ketoethers by heterogeneous hydrogenation using platinum catalysts in the presence of a chiral nitrogen base in high chemical and optical yields SOLVIAS AG (CH) 2003-09-09 US disclosed
US-20030109712-A1 Preparation of optically active alpha-hydroxyethers SOLVIAS AG (CH) 2003-06-12 US disclosed
EP-1291336-A2 Preparation of optically active alpha-hydroxyethers Solvias AG (CH) 2003-03-12 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 (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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ALDH1A1 166/4885SLC1A3 3594/4885SLC1A2 3862/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ALDH1A1 166/4885SLC1A3 3594/4885SLC1A2 3862/4885
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B ALDH1A1 3735/4885SLC1A3 4122/4885SLC1A2 4570/4885
US-20030109712-A1 Preparation of optically active alpha-hydroxyethers DHCR24, DHPS, HPSE ALDH1A1 762/4885SLC1A3 1527/4885SLC1A2 1957/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B ALDH1A1 3735/4885SLC1A3 4122/4885SLC1A2 4570/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ALDH1A1 166/4885SLC1A3 3594/4885SLC1A2 3862/4885

“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.