SCHEMBL21137423

SCHEMBL21137423

C=C/C(=C\C=C(/C)c1cccc(-c2ccccc2)c1)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.44
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ F2R P25116 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.40
▸ RIPK1 Q13546 1/20 0.39
▸ BTK Q06187 1/20 0.38
▸ ITK Q08881 1/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL24679668 0.83 PTPN1 (0.42) KMT2AMEN1POLBKDM4ENPC1
SCHEMBL23228136 0.72 MGLL (0.59) MGLLPOLBADORA3CNR1KDM4E
SCHEMBL14402892 0.72 TGM2 (0.48) KMT2APOLBKDM4ENPC1RAB9A
SCHEMBL20762752 0.71 MAPT (0.47) MGLLKMT2AMEN1POLBF2R
SCHEMBL18473288 0.70 MGLL (0.61) MGLLKMT2AMEN1POLBADORA3
SCHEMBL20682568 0.68 KMO (0.36) KMT2AMEN1POLBADORA3KDM4E
SCHEMBL20682556 0.68 KMO (0.37) KMT2AMEN1ADORA3KDM4E
SCHEMBL18152289 0.67 MEN1 (0.73) MGLLKMT2AMEN1POLBF2R
SCHEMBL14235979 0.67 MAPT (0.52) KMT2AMEN1BTKITKKDM4E
SCHEMBL20870051 0.67 MGLL (0.61) MGLLKMT2AMEN1POLBADORA3

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-11527721-B2 Electroactive materials LG CHEM, LTD. 2022-12-13 — — US disclosed
US-20190181344-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2019-06-13 — — 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 (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-20190181344-A1 ELECTROACTIVE MATERIALS NR5A1, AR, NR3C2 MGLL 4807/4885KMT2A 1984/4885MEN1 1046/4885
US-11527721-B2 Electroactive materials NR5A1, AR, NR3C2 MGLL 4807/4885KMT2A 1984/4885MEN1 1046/4885

“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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