SCHEMBL24910672

SCHEMBL24910672

CCC(C)(C)c1cc2c(cc1C(C)(C)C)OC(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
PTGS2 P35354 7/20 0.33
PTGS1 P23219 6/20 0.33
ALOX5 P09917 4/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL24910485 0.70 TSHR (0.46) TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL19928536 0.70 KDM4E (0.32) CYP1A2
SCHEMBL27115531 0.68 KDM4E (0.31) CYP1A2
SCHEMBL21074376 0.67 GPR3 (0.35) TSHRCYP1A2
SCHEMBL7519328 0.67 TSHR (1.00) TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL12169409 0.63 TSHR (0.58) TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL17171671 0.62 TSHR (0.77) TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL24000930 0.62 MAPK1 (0.39) TSHR
SCHEMBL9354769 0.61 ALOX15 (0.68) TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL14327701 0.61 KDM4E (0.32) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-01-19 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-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HCCS TSHR 4408/4885PTGS2 2500/4885PTGS1 3563/4885

“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.