SCHEMBL1046753

SCHEMBL1046753

OCc1c(Br)cc(Br)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
ALOX15 P16050 3/20 0.36
DRD4 P21917 1/20 0.36
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
ERN1 O75460 1/20 0.34
AHR P35869 2/20 0.33
NQO1 P15559 1/20 0.33
ALOX12 P18054 2/20 0.32
AKR1B1 P15121 2/20 0.32
CA2 P00918 2/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL18593912 0.83 CYP3A4 (0.39) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL4918423 0.82 APEX1 (0.45) DRD4CA2CA4
SCHEMBL10255927 0.78 GAA (0.36) DRD4CA1CA9MAPTKMT2A
SCHEMBL22390790 0.78 CYP3A4 (0.43) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL8126372 0.76 CYP3A4 (0.37) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL22653561 0.75 TDP1 (0.45) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL11232970 0.73 TDP1 (0.43) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL5550394 0.72 TTR (0.58) TSHRTDP1ALOX15CA2LMNA
SCHEMBL7969500 0.72 HTR1D (0.40) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL378361 0.72 TAAR1 (0.34) CYP3A4TSHRTDP1DRD4AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61085444-A None JP disclosed
CN-111171329-A Plastic dilatancy polymer and method for realizing dilatancy thereof 翁秋梅 2020-05-19 CN disclosed
EP-2137220-B1 AROMATIC URETHANE ACRYLATES HAVING A HIGH REFRACTIVE INDEX COVESTRO DEUTSCHLAND AG (DE) 2017-10-18 EP disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
US-7981987-B2 Aromatic urethane acrylates having a high refractive index BAYER MATERIALSCIENCE AG (DE) 2011-07-19 US disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
CN-101668782-A Aromatic urethane acrylates with high refractive index BAYER MATERIALSCIENCE AG 2010-03-10 CN disclosed
EP-2137220-A1 AROMATIC URETHANE ACRYLATES HAVING A HIGH REFRACTIVE INDEX Bayer MaterialScience AG (DE) 2009-12-30 EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
US-20080312403-A1 AROMATIC URETHANE ACRYLATES HAVING A HIGH REFRACTIVE INDEX BAYER MATERIALSCIENCE AG (DE) 2008-12-18 US disclosed
WO-2008125199-A1 AROMATIC URETHANE ACRYLATES HAVING A HIGH REFRACTIVE INDEX BAYER MATERIALSCIENCE AG (DE) 2008-10-23 WO disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 WO disclosed
JP-S6185444-A PRODUCTION OF FLAME-RETARDANT PHENOLIC RESIN LAMINATE HITACHI CHEM CO LTD 1986-05-01 JP 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-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP3A4 72/4885TSHR 1022/4885TDP1 4107/4885
US-20080312403-A1 AROMATIC URETHANE ACRYLATES HAVING A HIGH REFRACTIVE INDEX ACR, UTS2R, MUS81 CYP3A4 1722/4885TSHR 3629/4885TDP1 1080/4885

“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.