SCHEMBL20222765

SCHEMBL20222765

CC1(C)c2ccccc2-c2cc3c(cc21)Sc1ccccc1-c1ccccc1-c1ccccc1-c1ccc(-c2cc(-c4cccnc4)nc(-c4ccccc4)n2)cc1-3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.37
▸ CYP19A1 P11511 2/20 0.36
▸ PTGS2 P35354 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ MAPT P10636 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ GLA P06280 2/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ TNKS O95271 1/20 0.31
▸ CYP3A4 P08684 3/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL20222716 0.96 PDK2 (0.38) PDK2CYP19A1ALDH1A1MAPTTSHR
SCHEMBL20222683 0.96 PDK2 (0.38) PDK2CYP19A1ALDH1A1MAPTTSHR
SCHEMBL20222704 0.96 PDK2 (0.37) PDK2CYP19A1PTGS2ALDH1A1MAPT
SCHEMBL20222673 0.96 PDK2 (0.35) PDK2CYP19A1PTGS2ALDH1A1KDM4E
SCHEMBL20222707 0.94 PDK2 (0.39) PDK2CYP19A1ALDH1A1MAPTTSHR
SCHEMBL20222674 0.93 PDK2 (0.34) PDK2CYP19A1ALDH1A1MAPTTSHR
SCHEMBL20222699 0.92 PDK2 (0.35) PDK2CYP19A1PTGS2ALDH1A1TSHR
SCHEMBL20222610 0.92 PDK2 (0.38) PDK2CYP19A1PTGS2ALDH1A1MAPT
SCHEMBL20222714 0.89 MEN1 (0.35) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL20222679 0.89 MEN1 (0.33) ALDH1A1MAPTMEN1KMT2AHPGD

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-10693077-B2 Compound and organic electronic device using the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2020-06-23 — — US disclosed
US-20180155312-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 — — 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-10693077-B2 Compound and organic electronic device using the same SOD1, SCO2, RCOR3 PDK2 1918/4885CYP19A1 485/4885PTGS2 3355/4885
US-20180155312-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SOD1, SCO2, RCOR3 PDK2 1918/4885CYP19A1 485/4885PTGS2 3355/4885

“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.

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