SCHEMBL2453908

SCHEMBL2453908

OCC=Cc1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.61
ATM Q13315 1/20 0.61
CYP19A1 P11511 2/20 0.57
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
CYP1A2 P05177 1/20 0.54
HDAC6 Q9UBN7 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
NPC1 O15118 1/20 0.53
MTOR P42345 1/20 0.53
RAB9A P51151 1/20 0.53
VCP P55072 1/20 0.53
KDM4E B2RXH2 2/20 0.53
PGR P06401 1/20 0.53
AR P10275 1/20 0.53
GABRA1 P14867 1/20 0.53
MAOA P21397 1/20 0.53
SLC6A2 P23975 1/20 0.53

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
SCHEMBL2005021 1.00 CYP3A4 (0.61) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
SCHEMBL11480398 0.89 KDM4E (0.58) CYP3A4ATMCYP19A1ALDH1A1HDAC6
SCHEMBL11480395 0.89 KDM4E (0.58) CYP3A4ATMCYP19A1ALDH1A1HDAC6
SCHEMBL19472000 0.82 CYP19A1 (0.78) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
SCHEMBL19500874 0.82 CYP19A1 (0.78) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
SCHEMBL8152968 0.82 CYP3A4 (0.61) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
SCHEMBL2771009 0.82 CYP3A4 (0.61) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
SCHEMBL22187024 0.82 CYP3A4 (0.61) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
SCHEMBL256709 0.82 CYP3A4 (0.66) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
SCHEMBL10421648 0.82 CYP19A1 (0.62) CYP3A4ATMCYP19A1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58041874-A None JP disclosed
US-20260028340-A1 SUBSTITUTED DERIVATIVES OF ISOINDOLES SUPERNUS PHARMACEUTICALS, INC. (US) 2026-01-29 US disclosed
US-12454535-B2 Substituted derivatives of isoindoles SUPERNUS PHARMACEUTICALS, INC. (US) 2025-10-28 US disclosed
US-20250197412-A1 SUBSTITUTED DERIVATIVES OF ISOINDOLES SUPERNUS PHARMACEUTICALS, INC. (US) 2025-06-19 US disclosed
US-8017646-B2 e.g. 1-{3-[3-(3,4-dimethoxyphenyl)propoxy]propyl}pyrrolidine; neurodegenerative disorders, antidepressant, antidiabetic, hypotensive agent, cognition activator; BIOPROJET (FR) 2011-09-13 US disclosed
US-20080182876-A1 Histamine H3-Receptor Ligands and Their Therapeutic Application BIOPROJET (FR) 2008-07-31 US disclosed
EP-1874747-A1 HISTAMINE H3-RECEPT0R LIGANDS AND THEIR THERAPEUTIC APPLICATION BIOPROJET (FR) 2008-01-09 EP disclosed
WO-2006117611-A1 HISTAMINE H3-RECEPT0R LIGANDS AND THEIR THERAPEUTIC APPLICATION BIOPROJET (FR) 2006-11-09 WO disclosed
EP-1717233-A1 Histamine H3-receptor ligands and their therapeutic application BIOPROJET (FR) 2006-11-02 EP disclosed
US-6025310-A RETAINING STABILITY FREE OF HYDROLYSIS FOR PROLONGED PERIOD OF TIME, COMPATIBLE WITH ORGANIC LUBRICANTS HAVING BENZENE RING AND PHOSPHAZINE RING KUBOTA CORPORATION (JP) 2000-02-15 US disclosed
JP-S5841874-A PRODUCTION OF LIGNAN TSUMURA JUNTENDO INC 1983-03-11 JP disclosed
US-4052993-A CINNAMIC DERIVATIVES AS TOBACCO ADDITIVES LIGGETT & MYERS INCORPORATED (US) 1977-10-11 US disclosed
US-3943943-A Cinnamic derivatives as tobacco additives LIGGETT & MYERS INCORPORATED (US) 1976-03-16 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 (4 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-20260028340-A1 SUBSTITUTED DERIVATIVES OF ISOINDOLES ADRB3, ADRB2, SLC6A3 CYP3A4 366/4885ATM 1554/4885CYP19A1 1155/4885
US-12454535-B2 Substituted derivatives of isoindoles TPH2, CYP11B2, CYP3A5 CYP3A4 33/4885ATM 2126/4885CYP19A1 557/4885
US-20250197412-A1 SUBSTITUTED DERIVATIVES OF ISOINDOLES OPRK1, TPH2, NLN CYP3A4 297/4885ATM 1648/4885CYP19A1 1289/4885
US-20080182876-A1 Histamine H3-Receptor Ligands and Their Therapeutic Application HRH3, HRH4, HRH1 CYP3A4 1277/4885ATM 3227/4885CYP19A1 2075/4885

“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.