SCHEMBL2985307

SCHEMBL2985307

O=S(=O)(O)C1CCc2cc(O)ccc2O1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.55
ESR2 Q92731 7/20 0.55
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
OPRK1 P41145 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ACHE P22303 2/20 0.38
STS P08842 1/20 0.36
PTGS2 P35354 1/20 0.36
DRD4 P21917 1/20 0.36
AR P10275 1/20 0.35
CHRNA7 P36544 1/20 0.35
DPP4 P27487 1/20 0.35

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
Hydrochloric Acid SCHEMBL30887472 0.86 ESR1 (0.54) ESR1ESR2CHRNA7
SCHEMBL6464770 0.79 CA2 (0.49) CA1CA2
SCHEMBL634750 0.75 ESR1 (0.68) ESR1ESR2DRD2DRD3OPRK1
SCHEMBL30513304 0.73 ESR1 (0.61) ESR1ESR2DRD2DRD3OPRK1
SCHEMBL3269864 0.73 ESR1 (0.61) ESR1ESR2DRD2DRD3OPRK1
SCHEMBL27937706 0.73 ESR1 (0.61) ESR1ESR2DRD2DRD3OPRK1
SCHEMBL7290410 0.73 ESR1 (0.56) ESR1ESR2
SCHEMBL5839879 0.73 ESR1 (0.56) ESR1ESR2DRD2DRD3OPRK1
SCHEMBL4193774 0.73 ESR1 (0.56) ESR1ESR2
SCHEMBL27849144 0.73 ESR1 (0.56) ESR1ESR2DRD2DRD3OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772230-B2 Chroman compound, processes for its preparation, and its pharmaceutical use CHINA PHARMACEUTICAL UNIVERSITY (CN) 2010-08-10 US disclosed
US-20080103307-A1 Chroman Compound, Processes for Its Preparation, and Its Pharmaceutical Use CHINA PHARMACEUTICAL UNIVERSITY (CN) 2008-05-01 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 (1 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-20080103307-A1 Chroman Compound, Processes for Its Preparation, and Its Pharmaceutical Use KCNH1, HCN4, HCN1 ESR1 3437/4885ESR2 4180/4885DRD2 1023/4885

“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.