SCHEMBL811488

SCHEMBL811488

CC(C)(C)c1cccc2c1Oc1c(C(C)(C)C)cccc1C2(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.46
CA2 P00918 1/20 0.40
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
ALOX5 P09917 4/20 0.32
PTGS1 P23219 4/20 0.32
PTGS2 P35354 4/20 0.32
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
KIF11 P52732 1/20 0.31
ALOX12 P18054 1/20 0.30

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
SCHEMBL6829808 0.85 GABBR2 (0.40) DRD1CA2GABRA1GABRB2TDP1
SCHEMBL24272577 0.81 DRD1 (0.33) DRD1CA2GABBR2GABBR1
SCHEMBL21222728 0.74 ALDH1A1 (0.53) CA2ALDH1A1ALOX5PTGS1PTGS2
SCHEMBL15580435 0.74 CA2 (0.46) CA2GABRA1GABRB2TDP1ALDH1A1
SCHEMBL11910663 0.72 DRD1 (0.50) DRD1CA2TDP1ALDH1A1TSHR
SCHEMBL29589463 0.72 DRD1 (0.58) DRD1
SCHEMBL20594109 0.72 DRD1 (0.42) DRD1
SCHEMBL1315091 0.72 DRD1 (0.58) DRD1
SCHEMBL29883736 0.72 DRD1 (0.58) DRD1
SCHEMBL2692662 0.72 PTGS2 (0.54) ALOX5PTGS1PTGS2

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-7906669-B2 Metallocene-based phosphorus chiral phosphines SOLVIAS AG (CH) 2011-03-15 US disclosed
US-20090137824-A1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES PHOENIX CHEMICALS LTD (GB) 2009-05-28 US disclosed
US-20080242876-A1 Process For the Manufacture of Substituted Propionic Acids PHOENIX CHEMICALS LTD. (GB) 2008-10-02 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-20090137824-A1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES POLL, ZNF207, ZC3HAV1L DRD1 1187/4885CA2 1538/4885GABRA1 2538/4885
US-20080242876-A1 Process For the Manufacture of Substituted Propionic Acids AS3MT, PPA1, AGPS DRD1 3828/4885CA2 31/4885GABRA1 198/4885

“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.