SCHEMBL1043003

SCHEMBL1043003

Fc1cccc(Cc2ccccc2)c1P(Br)Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
PTPN1 P18031 1/20 0.38
CALM1 P0DP23 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
ALOX5 P09917 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.36
DAO P14920 1/20 0.36
SLC5A2 P31639 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TAAR1 Q96RJ0 2/20 0.34

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
SCHEMBL1042642 0.82 HTR2A (0.43) HTR2APTPN1CALM1CYP1A2CYP3A4
SCHEMBL1042049 0.78 KDM4E (0.42) HTR2ACALM1CYP1A2CYP3A4CYP2D6
SCHEMBL3306954 0.76 HTR2A (0.56) HTR2APTPN1CALM1BCL2BCL2L1
SCHEMBL3306943 0.75 HTR2A (0.50) HTR2APTPN1CALM1CYP1A2CYP3A4
SCHEMBL1039758 0.73 CES2 (0.36)
Benzylamine SCHEMBL28526129 0.72 HTR2A (0.57) HTR2APTPN1CALM1SMN1; SMN2HPGD
Dimethylamine SCHEMBL27719549 0.71 TAAR1 (0.53) HTR2APTPN1CALM1BCL2BCL2L1
SCHEMBL1041027 0.69 ACHE (0.48) CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL972711 0.68 CALM1 (0.69) HTR2ACALM1CYP3A4BCL2BCL2L1
SCHEMBL4324784 0.68 TRPA1 (0.44) HTR2ACALM1CYP1A2CYP3A4CYP2D6

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 HTR2A 4436/4885PTPN1 3371/4885CALM1 1968/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 HTR2A 4436/4885PTPN1 3371/4885CALM1 1968/4885

“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.