SCHEMBL3380979

SCHEMBL3380979

BrCc1oc2ccccc2c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 3/20 0.40
CYP3A4 P08684 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.40
PGAM1 P18669 1/20 0.40
MAOA P21397 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
CYP2C19 P33261 5/20 0.38
CYP2C9 P11712 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CHRM2 P08172 2/20 0.38
PTPN1 P18031 2/20 0.38
SLC22A12 Q96S37 2/20 0.38
EYA3 Q99504 2/20 0.38

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
SCHEMBL2775764 0.82 CYP2C19 (0.50) ALDH1A1MAPTHSD17B10HPGDCYP3A4
SCHEMBL6854050 0.82 CYP2C19 (0.40) ALDH1A1MAPTHSD17B10HPGDCYP3A4
SCHEMBL3752508 0.78 PLK1 (0.43) ALDH1A1MAPTHSD17B10HPGDCYP3A4
SCHEMBL4250447 0.77 CA12 (0.39) ALDH1A1MAPTHSD17B10HPGDCYP3A4
SCHEMBL31450995 0.74 AHR (0.45) ALDH1A1MAPTHSD17B10HPGDCYP3A4
SCHEMBL20305358 0.73 ALDH1A1 (0.38) ALDH1A1MAPTHSD17B10HPGDCYP3A4
SCHEMBL2442045 0.73 KDM4E (0.46) ALDH1A1MAPTHSD17B10HPGDCYP3A4
SCHEMBL22960257 0.73 CHRM2 (0.53) ALDH1A1MAPTHSD17B10HPGDCYP3A4
SCHEMBL595563 0.71 PLK1 (0.47) ALDH1A1MAPTHSD17B10HPGDCYP3A4
SCHEMBL31499095 0.71 PLK1 (0.47) ALDH1A1MAPTHSD17B10HPGDCYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113122061-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN disclosed
EP-1364946-B1 ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-24 EP disclosed
US-7833939-B2 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-16 US disclosed
EP-2186410-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-05-19 EP disclosed
US-7238689-B2 Isoxazoline derivative and herbicide comprising the same as active ingredient IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-07-03 US disclosed
US-20050256004-A1 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-11-17 US disclosed
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-06-10 US disclosed
EP-1364946-A1 ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-11-26 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-20050256004-A1 Herbicide compositions DDT, CYP4X1, GLRX3 ALDH1A1 160/4885MAPT 3697/4885HSD17B10 608/4885
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient CYP4X1, PRDX5, CYP3A7 ALDH1A1 279/4885MAPT 3143/4885HSD17B10 847/4885

“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.