SCHEMBL8401018

SCHEMBL8401018

COc1ccc(-c2ccc(C)c(C)c2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
MAPT P10636 2/20 0.49
CYP19A1 P11511 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TUBB1 Q9H4B7 3/20 0.46
PTGS2 P35354 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTGS1 P23219 1/20 0.44
FFAR1 O14842 1/20 0.43
ACHE P22303 1/20 0.43
NQO2 P16083 1/20 0.42
RORC P51449 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12326161 0.93 PDGFRB (0.58) PDGFRBPDGFRAMAPTKDM4EPTGS2
SCHEMBL15342384 0.86 PDGFRB (0.57) PDGFRBPDGFRAMAPTKDM4EALDH1A1
SCHEMBL12259115 0.86 ALDH1A1 (0.50) PDGFRBPDGFRATUBB1ALDH1A1CYP3A4
SCHEMBL8338270 0.84 ACHE (0.52) PDGFRBPDGFRAMAPTKDM4EPTGS2
Methoxymethane SCHEMBL29150576 0.83 ALDH1A1 (0.48) MAPTTUBB1PTGS2ALDH1A1CYP3A4
SCHEMBL29644376 0.83 KDM4E (0.54) PDGFRBPDGFRAMAPTKDM4EALDH1A1
SCHEMBL8264357 0.83 KDM4E (0.54) PDGFRBPDGFRAMAPTKDM4EALDH1A1
SCHEMBL14499448 0.83 PDGFRB (0.50) PDGFRBPDGFRAMAPTKDM4EPTGS2
SCHEMBL15342387 0.83 DYRK1A (0.52) PDGFRBPDGFRAMAPTKDM4ETUBB1
SCHEMBL1912033 0.83 DYRK1A (0.52) PDGFRBPDGFRAMAPTKDM4ETUBB1

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-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 US disclosed
US-20120129076-A1 Novel Sulfonic Acid Group-Containing Segmented Block Copolymer and Use Thereof TOYO BOSEKI KABUSHIKI KAISHA (JP) 2012-05-24 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 (5 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 PDGFRB 4204/4885PDGFRA 4305/4885MAPT 1798/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 PDGFRB 3879/4885PDGFRA 4048/4885MAPT 1392/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 PDGFRB 3879/4885PDGFRA 4048/4885MAPT 1392/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB PDGFRB 2926/4885PDGFRA 4354/4885MAPT 2644/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB PDGFRB 2926/4885PDGFRA 4354/4885MAPT 2644/4885

“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.