SCHEMBL5599072

SCHEMBL5599072

Cc1ccccc1-c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARD Q03181 1/20 0.42
NR1H4 Q96RI1 1/20 0.40
ABL1 P00519 1/20 0.39
ABCB1 P08183 1/20 0.39
BCR P11274 1/20 0.39
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
RIPK1 Q13546 1/20 0.38
KIF11 P52732 1/20 0.38
AR P10275 1/20 0.37
PDK2 Q15119 1/20 0.37
NPC1 O15118 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
SCHEMBL8858259 0.84 PPARG (0.47) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL5535236 0.83 S1PR1 (0.44) CA12CA1CA2CA9PPARG
Hydrogen Sulfide SCHEMBL27589515 0.82 PPARG (0.46) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL19638103 0.81 SCN5A (0.42) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL248258 0.79 PPARG (0.41) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL3633054 0.78 CA12 (0.61) CA12CA1CA2CA9PPARG
SCHEMBL29551674 0.78 CA12 (0.61) CA12CA1CA2CA9PPARG
SCHEMBL321832 0.78 ABL1 (0.62) CA12CA1CA2CA9NR1H4
SCHEMBL7861289 0.77 NPC1 (0.43) CA1CA2CA9PPARGPPARA
SCHEMBL21670646 0.77 SMN1; SMN2 (0.42) CYP2C9CYP2C19ABL1ABCB1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1312605-B1 Method for producing biaryl compounds SUMITOMO CHEMICAL CO (JP) 2007-04-25 EP disclosed
US-7122711-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20030158419-A1 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-21 US disclosed
EP-1312605-A1 Method for producing biaryl compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-21 EP 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-20030158419-A1 Method for producing biaryl compound B2M, BMI1, CYP2W1 CA12 1264/4885CA1 1473/4885CA2 872/4885

“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.