SCHEMBL12772005

SCHEMBL12772005

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
SLC6A4 P31645 11/20 0.39
SLC6A2 P23975 9/20 0.39
SLC6A3 Q01959 8/20 0.39
HTR2A P28223 4/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
LMNA P02545 2/20 0.35
NPY1R P25929 1/20 0.35
MAPK1 P28482 1/20 0.35
NPY2R P49146 1/20 0.35

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
SCHEMBL12771996 0.82 MAPT (0.49) TSHRALDH1A1KDM4EMEN1CYP3A4
SCHEMBL12772032 0.82 KDM4E (0.37) ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL12772019 0.80 ESR1 (0.46) ALDH1A1KDM4E
SCHEMBL12772011 0.78 CNR2 (0.39) TSHRALDH1A1KDM4ECYP2C19KMT2A
SCHEMBL12771999 0.77 SLC6A4 (0.42) TSHRSLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL12771997 0.77 CYP1A2 (0.38) TSHRSLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL12772025 0.75 KDM4E (0.47) TSHRALDH1A1KDM4EMEN1CYP2D6
SCHEMBL10912773 0.75 CYP2A6 (0.43) TSHRALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL19211520 0.74 ESR1 (0.55) TSHRSLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL329228 0.73 SLC6A4 (0.48) TSHRSLC6A4SLC6A2SLC6A3HTR2A

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 TSHR 1198/4885SLC6A4 3977/4885SLC6A2 4283/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 TSHR 1198/4885SLC6A4 3977/4885SLC6A2 4283/4885

“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.