SCHEMBL22166644

SCHEMBL22166644

CC(C)(C)c1ccc(Cn2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.63
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
DNM1 Q05193 1/20 0.55
P2RX4 Q99571 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC10 Q969S8 1/20 0.54
TP53 P04637 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.52
HDAC3 O15379 1/20 0.51
METAP2 P50579 1/20 0.50
SLC5A1 P13866 1/20 0.48
SLC5A2 P31639 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL30616071 1.00 CYP19A1 (0.63) CYP19A1MEN1KMT2ADNM1P2RX4
SCHEMBL24714163 0.85 S1PR1 (0.52) CYP19A1MEN1KMT2ADNM1P2RX4
SCHEMBL13957035 0.84 CYP19A1 (0.86) CYP19A1P2RX4HDAC6HDAC1HDAC10
SCHEMBL30616074 0.84 CYP19A1 (0.56) CYP19A1MEN1KMT2ADNM1P2RX4
SCHEMBL30616075 0.84 CYP19A1 (0.56) CYP19A1MEN1KMT2ADNM1P2RX4
SCHEMBL29092938 0.84 CYP19A1 (0.56) CYP19A1MEN1KMT2ADNM1P2RX4
SCHEMBL14492830 0.81 PTGES2 (0.54) CYP19A1MEN1KMT2AP2RX4HDAC6
SCHEMBL24097551 0.81 CYP19A1 (0.58) CYP19A1MEN1KMT2AP2RX4TP53
SCHEMBL5308571 0.81 MEN1 (0.51) MEN1KMT2ADNM1P2RX4TP53
SCHEMBL4870762 0.81 KMT2A (0.61) MEN1KMT2AP2RX4TP53SMN1; SMN2

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
CN-116874409-A Green debenzylation method by photocatalytic molecular oxygen oxidation 大连理工大学 2023-10-13 CN disclosed
US-10696697-B2 Heterocyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-30 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 (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-10696697-B2 Heterocyclic compound and organic electroluminescence device including the same ODC1, KCNC1, LEF1 CYP19A1 153/4885MEN1 270/4885KMT2A 1033/4885

“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.