SCHEMBL5951377

SCHEMBL5951377

Oc1cc(Br)c2oc3ccccc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.50
ALOX5 P09917 2/20 0.47
ESR1 P03372 2/20 0.47
DYRK1A Q13627 1/20 0.46
AHR P35869 1/20 0.46
MAOA P21397 4/20 0.45
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
CYP2C19 P33261 1/20 0.40
KDM5A P29375 1/20 0.40
EYA3 Q99504 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALPI P09923 1/20 0.40

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
SCHEMBL9836670 0.87 MAOA (0.59) ESR2ESR1MAOAGAAMGAM
SCHEMBL31671127 0.81 AHR (0.49) ALOX5DYRK1AAHRMAOAGAA
SCHEMBL2412683 0.81 AHR (0.49) ALOX5DYRK1AAHRMAOAGAA
SCHEMBL3886077 0.81 ALOX5 (0.58) ESR2ALOX5ESR1DYRK1AAHR
SCHEMBL24086751 0.79 AHR (0.46) ESR2ALOX5ESR1AHRMAOA
SCHEMBL17987528 0.79 MAPT (0.55) ALOX5DYRK1AAHRMAOAGAA
SCHEMBL30018586 0.79 AHR (0.54) ALOX5AHRKDM4EMEN1MAPT
SCHEMBL30286404 0.79 AHR (0.46) ESR2ALOX5ESR1AHRMAOA
SCHEMBL3873780 0.79 ALOX5 (0.47) ESR2ALOX5DYRK1AAHRMAOA
SCHEMBL19041865 0.79 AHR (0.46) ALOX5DYRK1AAHRMAOAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 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 (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-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 ESR2 2647/4885ALOX5 4799/4885ESR1 2258/4885

“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.