SCHEMBL6790577

SCHEMBL6790577

CCC1CCc2ccc(OC)cc2C1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.64
DRD2 P14416 6/20 0.62
DRD3 P35462 6/20 0.62
DRD4 P21917 2/20 0.59
CYP26A1 O43174 1/20 0.57
HTR1A P08908 2/20 0.55
SIGMAR1 Q99720 2/20 0.55
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ACHE P22303 1/20 0.50

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 0.94 CYP19A1 (0.64) CYP19A1DRD2DRD3DRD4CYP26A1
SCHEMBL629434 0.94 CYP19A1 (0.64) CYP19A1DRD2DRD3DRD4CYP26A1
SCHEMBL8688900 0.86 CYP19A1 (0.60) CYP19A1DRD2DRD3DRD4CYP26A1
SCHEMBL3154982 0.86 DRD2 (0.65) CYP19A1DRD2DRD3DRD4CYP26A1
SCHEMBL9630417 0.86 CYP19A1 (0.63) CYP19A1DRD2DRD3DRD4CYP26A1
SCHEMBL9361478 0.86 DRD2 (0.65) CYP19A1DRD2DRD3DRD4CYP26A1
SCHEMBL9361141 0.86 DRD2 (0.65) CYP19A1DRD2DRD3DRD4CYP26A1
Hydrochloric Acid SCHEMBL9688676 0.84 DRD2 (0.63) CYP19A1DRD2DRD3DRD4CYP26A1
Hydrochloric Acid SCHEMBL9688679 0.84 DRD2 (0.63) CYP19A1DRD2DRD3DRD4CYP26A1
Hydrochloric Acid SCHEMBL9688751 0.84 DRD2 (0.63) CYP19A1DRD2DRD3DRD4CYP26A1

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-20230190717-A1 P38 GAMMA INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2023-06-22 US disclosed
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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 (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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 CYP19A1 2255/4885DRD2 4396/4885DRD3 4635/4885
US-20230190717-A1 P38 GAMMA INHIBITORS AND METHOD OF USE THEREOF CDC42BPG, MAPK1, MAPK7 CYP19A1 3269/4885DRD2 4764/4885DRD3 4457/4885

“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.