Sugi Predict

Sugi Predict / Compounds / SCHEMBL21923924

SCHEMBL21923924

SCHEMBL21923924

CC1(C)c2ccccc2C2(c3ccccc3-c3cc(Cl)ccc32)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 7/20 0.54
▸ PGR P06401 2/20 0.40
▸ S100A4 P26447 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ AKR1A1 P14550 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ PTPN1 P18031 1/20 0.35
▸ GPR3 P46089 1/20 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
SCHEMBL30844881 1.00 PDK2 (0.54) PDK2PGRS100A4KDM4EMEN1
SCHEMBL24730198 0.96 PDK2 (0.49) PDK2PGRS100A4KDM4EMEN1
SCHEMBL16810680 0.93 PDK2 (0.61) PDK2S100A4KDM4EMEN1LMNA
SCHEMBL19849937 0.91 PDK2 (0.59) PDK2PGRS100A4AKR1A1AKR1B1
SCHEMBL29800749 0.91 PDK2 (0.62) PDK2S100A4KDM4EMEN1LMNA
SCHEMBL12685311 0.91 PDK2 (0.62) PDK2S100A4KDM4EMEN1LMNA
SCHEMBL21037250 0.89 PDK2 (0.50) PDK2PGRS100A4KDM4EMEN1
SCHEMBL30805708 0.89 PDK2 (0.50) PDK2PGRS100A4KDM4EMEN1
SCHEMBL17816870 0.89 PDK2 (0.61) PDK2S100A4KDM4EMEN1LMNA
SCHEMBL19773261 0.89 PDK2 (0.61) PDK2S100A4KDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147336-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME DOOSAN SOLUS CO., LTD. (KR) 2021-05-20 — — US disclosed
US-20210147336-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME DOOSAN SOLUS CO., LTD. (KR) 2021-05-20 — — US disclosed
US-20210143327-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOOSAN SOLUS CO., LTD. (KR) 2021-05-13 — — US disclosed
US-20210143327-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOOSAN SOLUS CO., LTD. (KR) 2021-05-13 — — US disclosed
WO-2020248943-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2020-12-17 — — WO disclosed
US-20200131112-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2020-04-30 — — 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 (3 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-20210147336-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME OR10J3, ORAI2, OR51E2 PDK2 2458/4885PGR 3729/4885S100A4 3549/4885
US-20200131112-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME AOX1, CYP1B1, CRY1 PDK2 2204/4885PGR 3779/4885S100A4 2342/4885
US-20210143327-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME OR10J3, ICOSLG, L1CAM PDK2 1288/4885PGR 3249/4885S100A4 4003/4885

“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.