SCHEMBL20008392

SCHEMBL20008392

CC(C)(C)c1ccc(OCc2ccccc2Br)c(OCc2ccccc2Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 2/20 0.52
HTT P42858 2/20 0.52
RAB9A P51151 2/20 0.52
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
IDO1 P14902 2/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL2289307 0.88 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTNPC1HTT
SCHEMBL2291232 0.88 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTNPC1HTT
SCHEMBL2294503 0.80 PARP10 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2294476 0.79 SOD1 (0.55) ALDH1A1SMN1; SMN2MAPTNPC1HTT
SCHEMBL18171756 0.78 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPTNPC1HTT
SCHEMBL19483249 0.78 MRGPRX4 (0.55) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL2293075 0.76 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTNPC1HTT
SCHEMBL2291817 0.76 IDO1 (0.42) ALDH1A1SMN1; SMN2MAPTNPC1HTT
SCHEMBL11168946 0.74 MRGPRX4 (0.48) SMN1; SMN2MAPTRAB9ANPSR1LMNA
SCHEMBL12772153 0.74 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MAPTNPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10252967-B2 Bridged bi-aromatic ligands and transition metal compounds prepared therefrom UNIVATION TECHNOLOGIES, LLC (US) 2019-04-09 US disclosed
EP-3286202-B1 BRIDGED BI-AROMATIC LIGANDS AND TRANSITION METAL COMPOUNDS PREPARED THEREFROM UNIVATION TECH LLC (US) 2019-03-13 EP disclosed
US-20180086685-A1 BRIDGED BI-AROMATIC LIGANDS AND TRANSITION METAL COMPOUNDS PREPARED THEREFROM UNIVATION TECHNOLOGIES, LLC (US) 2018-03-29 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 (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-20180086685-A1 BRIDGED BI-AROMATIC LIGANDS AND TRANSITION METAL COMPOUNDS PREPARED THEREFROM WEE2, WEE1, AHR ALDH1A1 1250/4885SMN1; SMN2 4622/4885MAPT 1075/4885
US-10252967-B2 Bridged bi-aromatic ligands and transition metal compounds prepared therefrom WEE2, WEE1, AHR ALDH1A1 1250/4885SMN1; SMN2 4622/4885MAPT 1075/4885

“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.