SCHEMBL12774288

SCHEMBL12774288

CC(C)c1cccc(N(C)C)c1P(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.38
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ FAAH O00519 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ GABRA2 P47869 1/20 0.38

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
SCHEMBL12774330 0.82 SIGMAR1 (0.37) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL12774278 0.81 GABRA1 (0.35) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL12774308 0.80 SIGMAR1 (0.33) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL12774297 0.76 NR3C1 (0.41) TSHRGAAL3MBTL1
SCHEMBL12774293 0.75 MAPT (0.40) LMNACA1CA2CYP1A2TSHR
SCHEMBL12771999 0.74 SLC6A4 (0.42) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL5227537 0.73 GABRA1 (0.46) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL8033124 0.73 MAPT (0.52) LMNACA2CYP1A2TSHRHIF1A
SCHEMBL1041826 0.73 MAPT (0.39) LMNACA2TSHRMAPTKDM4E
SCHEMBL7028664 0.72 GABRA1 (0.43) GABRA1GABRG2GABRB3LMNAGABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 — — US disclosed
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 — — US disclosed
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED 2009-06-04 — — US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 — — US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 — — US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 — — US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 — — 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-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 GABRA1 4418/4885GABRG2 4477/4885GABRB3 4095/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 GABRA1 4418/4885GABRG2 4477/4885GABRB3 4095/4885

“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.

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