SCHEMBL12771997

SCHEMBL12771997

CN(C)Cc1cccc(C(C)(C)C)c1P(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A4 P31645 10/20 0.35
SLC6A2 P23975 9/20 0.35
SLC6A3 Q01959 8/20 0.35
CA2 P00918 1/20 0.34
HTR2A P28223 2/20 0.33
MAPK1 P28482 2/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL12772006 0.84 MAPT (0.36) CYP1A2CYP2C19CYP2D6LMNAALDH1A1
SCHEMBL12772021 0.83 TAAR1 (0.33) CYP2D6LMNAALDH1A1CA2
SCHEMBL12772015 0.81 ESR1 (0.34) CYP2D6ALDH1A1TSHRCA2
SCHEMBL12772023 0.80 CNR2 (0.36) CYP2D6LMNAALDH1A1GAATSHR
SCHEMBL12772005 0.77 TSHR (0.43) CYP2C19CYP2D6LMNAALDH1A1TSHR
SCHEMBL12772039 0.77 KDM4E (0.43) CYP1A2CYP2C19CYP2D6ALDH1A1TSHR
SCHEMBL8310680 0.76 CYP2C19 (0.46) CYP1A2CYP2C19CYP2D6LMNAALDH1A1
SCHEMBL12774284 0.74 CA2 (0.38) LMNAALDH1A1GAATSHRCA2
SCHEMBL12771999 0.73 SLC6A4 (0.42) CYP1A2LMNAALDH1A1TSHRSLC6A4
SCHEMBL12772052 0.71 ALDH1A1 (0.48) CYP1A2CYP2C19CYP2D6ALDH1A1TSHR

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 CYP1A2 2917/4885CYP2C19 3142/4885CYP2D6 2096/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 CYP1A2 2917/4885CYP2C19 3142/4885CYP2D6 2096/4885

“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.