SCHEMBL21170015

SCHEMBL21170015

c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7ccc(-c8ccc(-c9c%10ccccc%10c(-c%10cccc%11oc%12ccccc%12c%10%11)c%10ccccc9%10)c9ccccc89)c8oc9ccccc9c78)c7ccccc67)cc5)cc4)c4oc5ccccc5c34)c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC14B O60729 2/20 0.43
CDC14A Q9UNH5 2/20 0.43
ALOX5 P09917 2/20 0.39
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADORA2A P29274 1/20 0.33
PRKDC P78527 1/20 0.33
PTPN1 P18031 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL22455719 0.97 CDC14B (0.39) CDC14BCDC14AALOX5CYP17A1CYP19A1
SCHEMBL21579235 0.96 CDC14B (0.45) CDC14BCDC14AALOX5CYP17A1CYP19A1
SCHEMBL23504692 0.93 CDC14B (0.45) CDC14BCDC14AALOX5CYP17A1CYP19A1
SCHEMBL24174237 0.92 CDC14B (0.44) CDC14BCDC14AALOX5CYP17A1CYP19A1
SCHEMBL24839162 0.92 CDC14B (0.44) CDC14BCDC14AALOX5CYP17A1CYP19A1
SCHEMBL22178755 0.91 CDC14B (0.42) CDC14BCDC14AALOX5CYP17A1CYP19A1
SCHEMBL23504691 0.91 CDC14B (0.47) CDC14BCDC14AALOX5CYP17A1CYP19A1
SCHEMBL19764799 0.91 CDC14B (0.47) CDC14BCDC14AALOX5CYP17A1CYP19A1
SCHEMBL23504477 0.91 ALOX5 (0.41) CDC14BCDC14AALOX5CYP17A1CYP19A1
SCHEMBL23504526 0.91 ALOX5 (0.41) CDC14BCDC14AALOX5CYP17A1CYP19A1

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-10672989-B2 Organic electroluminescence device and novel compound IDEMITSU KOSAN CO., LTD. (JP) 2020-06-02 US disclosed
US-20190221747-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NOVEL COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2019-07-18 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-10672989-B2 Organic electroluminescence device and novel compound LEF1, OR10J3, LUC7L2 CDC14B 4678/4885CDC14A 4699/4885ALOX5 1169/4885
US-20190221747-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NOVEL COMPOUND KCNN4, OR10J3, KCNN2 CDC14B 4574/4885CDC14A 4529/4885ALOX5 1406/4885

“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.