SCHEMBL25839643

SCHEMBL25839643

COc1c(I)cccc1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.47
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MCL1 Q07820 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34

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
SCHEMBL3648629 0.79 SMN1; SMN2 (0.46) CA1CA2MCL1KDM4EALDH1A1
SCHEMBL2944532 0.78 ENPP2 (0.50) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL29458390 0.78 ENPP2 (0.50) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL22690326 0.77 CA1 (0.55) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL263451 0.77 ENPP2 (0.65) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL29401885 0.77 ENPP2 (0.65) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL1709962 0.76 ALDH1A1 (0.39) CA1CA2MCL1KDM4EALDH1A1
SCHEMBL5198 0.75 ENPP2 (0.47) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL20983161 0.75 ENPP2 (0.47) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL6651220 0.75 ENPP2 (0.47) ENPP2ORAI1ORAI2ORAI3CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230225189-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-13 US disclosed
US-20230225189-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-13 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-20230225189-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND CRY1, LAGE3, LEF1 ENPP2 4395/4885ORAI1 3918/4885ORAI2 1634/4885

“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.