SCHEMBL3923458

SCHEMBL3923458

Oc1c(Br)cc2ccccc2c1-c1cc(Br)cc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MPI P34949 1/20 0.39
KMT2A Q03164 1/20 0.39
NQO1 P15559 1/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX5 P09917 1/20 0.38
HIF1A Q16665 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL1109931 0.84 ALOX5 (0.46) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL29434773 0.78 CYP2A6 (0.48) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL12459029 0.77 CRHBP (0.52) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL19821130 0.75 MEN1 (0.49) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL12459447 0.74 MEN1 (0.47) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL32663653 0.74 GPR84 (0.36) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL6545417 0.74 CASP6 (0.48) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL6600451 0.72 POLB (0.52) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL10530767 0.72 NQO1 (0.50) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL31491192 0.71 MEN1 (0.60) ALDH1A1KDM4EMEN1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658774-B Synthesis method of novel chiral nitrobinaphthol and derivatives thereof 中国科学院青岛生物能源与过程研究所 2020-11-27 CN claimed
CN-108658774-B Synthesis method of novel chiral nitrobinaphthol and derivatives thereof 中国科学院青岛生物能源与过程研究所 2020-11-27 CN disclosed
US-7517828-B2 Chiral broensted acid catalyst for asymmetric synthesis and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2009-04-14 US disclosed
US-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2006-12-07 US disclosed
EP-1623971-A1 ASYMMETRIC-SYNTHESIS CATALYST BASED ON CHIRAL BROENSTED ACID AND METHOD OF ASYMMETRIC SYNTHESIS WITH THE CATALYST TOAGOSEI CO., LTD. (JP) 2006-02-08 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 (1 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-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst LSS, COASY, FASN GABRA1 520/4885GABRB1 1028/4885GABRA2 698/4885

“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.