SCHEMBL8940307

SCHEMBL8940307

C=CCOCCOCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
C5AR1 P21730 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
STAT3 P40763 1/20 0.37
TLR9 Q9NR96 1/20 0.37
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
GAA P10253 1/20 0.36
CYP24A1 Q07973 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
G6PD P11413 1/20 0.35
VDR P11473 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL30380565 1.00 ALDH1A1 (0.43) ALDH1A1CA12CA1CA9C5AR1
SCHEMBL8940473 1.00 ALDH1A1 (0.43) ALDH1A1CA12CA1CA9C5AR1
SCHEMBL863528 0.98 CA12 (0.42) ALDH1A1CA12CA1CA9C5AR1
SCHEMBL8875958 0.90 CYP24A1 (0.39) ALDH1A1CA12CA1CA9C5AR1
SCHEMBL8672969 0.88 CYP24A1 (0.39) ALDH1A1CA12CA1CA9C5AR1
SCHEMBL26541640 0.88 ALDH1A1 (0.43) ALDH1A1CA12CA1CA9C5AR1
SCHEMBL13913110 0.88 ALDH1A1 (0.43) ALDH1A1CA12CA1CA9C5AR1
SCHEMBL18613994 0.87 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL478342 0.87 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL18644929 0.87 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250032623-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. 2025-01-30 US disclosed
WO-2023059583-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 WO disclosed
US-20230098438-A1 OXAZINE-BASED WATER-SOLUBLE FLUOROPHORE COMPOUNDS FOR IN VIVO NERVE IMAGING OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-03-30 US disclosed
US-20230098686-A1 NERVE SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION UNIV OREGON HEALTH & SCIENCE (US) 2023-03-30 US disclosed
EP-4084829-A1 OXAZINE-BASED WATER-SOLUBLE FLUOROPHORE COMPOUNDS FOR IN VIVO NERVE IMAGING Oregon Health & Science University (US) 2022-11-09 EP disclosed
WO-2021158820-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-08-12 WO disclosed
WO-2021138116-A1 OXAZINE-BASED WATER-SOLUBLE FLUOROPHORE COMPOUNDS FOR IN VIVO NERVE IMAGING OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-07-08 WO disclosed
US-8354147-B2 Polymerizable liquid crystal compound, composition and polymer JNC CORPORATION (JP) 2013-01-15 US disclosed
US-20110001088-A1 Polymerizable Liquid Crystal Compound, Composition and Polymer CHISSO CORPORATION (JP) 2011-01-06 US disclosed
US-5563230-A POLYETHERSILOXANES NATIONAL SCIENCE COUNCIL (TW) 1996-10-08 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-20110001088-A1 Polymerizable Liquid Crystal Compound, Composition and Polymer CCNT1, H1-0, CCNA1 ALDH1A1 1447/4885CA12 523/4885CA1 112/4885
US-20230098438-A1 OXAZINE-BASED WATER-SOLUBLE FLUOROPHORE COMPOUNDS FOR IN VIVO NERVE IMAGING GAP43, NTRK1, MAG ALDH1A1 861/4885CA12 2344/4885CA1 1882/4885
US-20230098686-A1 NERVE SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 ALDH1A1 556/4885CA12 2687/4885CA1 3277/4885
US-20250032623-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE AURKB, CDK9, AURKA ALDH1A1 4001/4885CA12 3122/4885CA1 3345/4885

“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.