SCHEMBL1041027

SCHEMBL1041027

Cc1cccc(F)c1P(Br)Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.48
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
HDAC4 P56524 1/20 0.31
TRPA1 O75762 2/20 0.30
CD44 P16070 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
ATM Q13315 1/20 0.30
NPC1 O15118 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
SCHEMBL1039758 0.83 CES2 (0.36) ACHECES2CES1
SCHEMBL1039864 0.72 CA2 (0.40) ALDH1A1CA2TSHR
SCHEMBL1041163 0.72 IDO1 (0.32)
SCHEMBL1043225 0.72 P2RX7 (0.37) CYP1A2ALDH1A1TSHRGAATRPA1
SCHEMBL1039382 0.72 MAPT (0.39) ALDH1A1CA2TSHRGAANPC1
SCHEMBL1042653 0.72 NFE2L2 (0.43) ACHEALDH1A1CA1CA2CA7
SCHEMBL1043003 0.69 HTR2A (0.43) CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL2263095 0.69
SCHEMBL29728159 0.69
SCHEMBL1040125 0.68 ALDH1A1 (0.40) CYP2A6ALDH1A1HDAC4NPC1RAB9A

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 6 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
EP-2272852-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex Sumitomo Chemical Company, Limited (JP) 2011-01-12 EP 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-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
EP-1683802-A1 TRANSITION METAL COMPLEX LIGAND AND OLEFIN POLYMERIZATION CATALYST CONTAINING TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2006-07-26 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 (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 ACHE 4428/4885CYP2A6 1844/4885CYP1A2 2917/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 ACHE 4428/4885CYP2A6 1844/4885CYP1A2 2917/4885

“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.