SCHEMBL629434

SCHEMBL629434

CCC1CCc2cc(OC)ccc2C1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.64
CYP26A1 O43174 1/20 0.64
DRD2 P14416 6/20 0.59
DRD3 P35462 6/20 0.59
SIGMAR1 Q99720 2/20 0.55
DRD4 P21917 2/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ACHE P22303 1/20 0.50
HTR1A P08908 1/20 0.49

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
SCHEMBL629921 1.00 CYP19A1 (0.64) CYP19A1CYP26A1DRD2DRD3SIGMAR1
SCHEMBL6790577 0.94 CYP19A1 (0.64) CYP19A1CYP26A1DRD2DRD3SIGMAR1
SCHEMBL11139292 0.88 CYP19A1 (0.52) CYP19A1CYP26A1DRD2DRD3SIGMAR1
SCHEMBL8688900 0.86 CYP19A1 (0.60) CYP19A1CYP26A1DRD2DRD3SIGMAR1
SCHEMBL4623036 0.86 CYP26A1 (0.67) CYP19A1CYP26A1DRD2DRD3SIGMAR1
SCHEMBL4622442 0.86 CYP19A1 (0.63) CYP19A1CYP26A1DRD2DRD3SIGMAR1
SCHEMBL3149465 0.86 CYP19A1 (0.63) CYP19A1CYP26A1DRD2DRD3SIGMAR1
SCHEMBL3157913 0.86 CYP19A1 (0.63) CYP19A1CYP26A1DRD2DRD3SIGMAR1
SCHEMBL7288575 0.86 CYP26A1 (0.67) CYP19A1CYP26A1DRD2DRD3SIGMAR1
SCHEMBL9361493 0.86 CYP19A1 (0.63) CYP19A1CYP26A1DRD2DRD3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230190717-A1 P38 GAMMA INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2023-06-22 US disclosed
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 WO 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 (2 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC CYP19A1 1316/4885CYP26A1 2790/4885DRD2 4698/4885
US-20230190717-A1 P38 GAMMA INHIBITORS AND METHOD OF USE THEREOF CDC42BPG, MAPK1, MAPK7 CYP19A1 3269/4885CYP26A1 2325/4885DRD2 4764/4885

“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.