SCHEMBL1039751

SCHEMBL1039751

Cc1cc(C)c(Br)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
RAPGEF4 Q8WZA2 6/20 0.39
CYP2C19 P33261 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
AR P10275 4/20 0.36
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL14885993 0.88 SMN1; SMN2 (0.37) SMN1; SMN2HTTLMNARAPGEF4CYP2C19
SCHEMBL13550078 0.82 KDM1A (0.34) SMN1; SMN2HTTLMNAAR
SCHEMBL10242061 0.82 NOTUM (0.38) SMN1; SMN2HTTLMNARAPGEF4AR
SCHEMBL13550034 0.80 EPAS1 (0.34) SMN1; SMN2HTTLMNAAR
SCHEMBL1041359 0.80 SMN1; SMN2 (0.46) SMN1; SMN2HTTLMNARAPGEF4CYP2C19
SCHEMBL11277315 0.79 SMN1; SMN2 (0.50) SMN1; SMN2RAPGEF4CYP2C19CYP2D6CYP1A2
SCHEMBL20108631 0.78 RAPGEF4 (0.40) SMN1; SMN2HTTLMNARAPGEF4MEN1
SCHEMBL1438733 0.78 TSHR (0.42) CYP1A2CYP3A4TSHRARALDH1A1
SCHEMBL1041770 0.78 POLB (0.40) TSHRARPOLB
SCHEMBL31591616 0.78 AR (0.30) AR

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 11 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-20100010058-A1 Azoline Compounds for Combating Arthropod Pests BASF SE (DE) 2010-01-14 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-20080312085-A1 Pesticidal Compositions BASF SE (DE) 2008-12-18 US disclosed
US-20080312085-A1 Pesticidal Compositions BASF SE (DE) 2008-12-18 US disclosed
WO-2007147701-A1 AZOLINE COMPOUNDS FOR COMBATING ARTHROPOD PESTS BASF SE (DE) 2007-12-27 WO disclosed
WO-2007071585-A1 PESTCIDAL COMPOSITIONS BASF SE (DE) 2007-06-28 WO 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 (4 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 SMN1; SMN2 2171/4885HTT 4100/4885LMNA 3039/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 SMN1; SMN2 2171/4885HTT 4100/4885LMNA 3039/4885
US-20100010058-A1 Azoline Compounds for Combating Arthropod Pests NR0B1, NR4A1, NR4A3 SMN1; SMN2 3236/4885HTT 2190/4885LMNA 3117/4885
US-20080312085-A1 Pesticidal Compositions ANXA1, PRDX1, PRDX2 SMN1; SMN2 1824/4885HTT 1404/4885LMNA 2729/4885

“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.