SCHEMBL1249191

SCHEMBL1249191

c1ccc2c(c1)O[C@@H]1c3ccccc3OC[C@H]21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ CYP3A4 P08684 2/20 0.45
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ LTB4R Q15722 1/20 0.40
▸ LTB4R2 Q9NPC1 1/20 0.40
▸ HTR2A P28223 6/20 0.37
▸ HTR2C P28335 6/20 0.37
▸ HRH1 P35367 4/20 0.37
▸ NISCH Q9Y2I1 1/20 0.37

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
SCHEMBL1411892 1.00 DRD2 (0.47) DRD2DRD3CYP3A4MAOAMAOB
SCHEMBL1249193 1.00 DRD2 (0.47) DRD2DRD3CYP3A4MAOAMAOB
SCHEMBL29364314 1.00 DRD2 (0.47) DRD2DRD3CYP3A4MAOAMAOB
SCHEMBL12891390 0.84 MAPT (0.47) DRD2DRD3CYP3A4MAOAMAOB
SCHEMBL232991 0.84 CYP3A4 (0.68) CYP3A4MAOAMAOBMAPTMAPK1
SCHEMBL12810063 0.80 MAPT (0.70) DRD2DRD3CYP3A4MAOAMAOB
SCHEMBL13825739 0.78 DRD2 (0.53) DRD2DRD3CYP3A4LTB4RLTB4R2
SCHEMBL8228508 0.78 DRD2 (0.53) DRD2DRD3CYP3A4LTB4RLTB4R2
SCHEMBL8231800 0.78 DRD2 (0.53) DRD2DRD3CYP3A4LTB4RLTB4R2
SCHEMBL8232785 0.78 DRD2 (0.53) DRD2DRD3CYP3A4LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633203-B2 Use of pterocarpans as active anti-cellulite ingredients SYMRISE AG (DE) 2014-01-21 — — US disclosed
US-20110034486-A1 USE OF PTEROCARPANS AS ACTIVE ANTI-CELLULITE INGREDIENTS SYMRISE GMBH & CO., KG (DE) 2011-02-10 — — US disclosed
US-5399558-A Isoflavonoid antibacterial compounds, compositions and use PATHOGENESIS CORPORATION (US) 1995-03-21 — — 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-20110034486-A1 USE OF PTEROCARPANS AS ACTIVE ANTI-CELLULITE INGREDIENTS FABP4, PLIN1, CPT1B DRD2 1349/4885DRD3 796/4885CYP3A4 1262/4885

“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.

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