SCHEMBL26482446

SCHEMBL26482446

C/C=C\C=C(/N=C\C)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 4/20 0.32
▸ POLB P06746 3/20 0.32
▸ ATM Q13315 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CES1 P23141 1/20 0.30

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
SCHEMBL18792399 0.81 ATM (0.37) TSHRKDM4EMAPTPOLBATM
SCHEMBL19101609 0.81 TSHR (0.32) TSHRKDM4EMAPTPOLBATM
SCHEMBL19085533 0.81 AKT1 (0.36) ATM
SCHEMBL18937464 0.74 ATM (0.32) TSHRMAPTPOLBATMCYP3A4
SCHEMBL15152900 0.73 ALDH1A1 (0.38) TSHRMAPTPOLBCYP3A4TDP1
SCHEMBL9519534 0.73 ALDH1A1 (0.38) TSHRMAPTPOLBCYP3A4TDP1
SCHEMBL9519520 0.73 ALDH1A1 (0.38) TSHRMAPTPOLBCYP3A4TDP1
SCHEMBL25107060 0.72 MEN1 (0.35) MAPTATMMEN1KMT2ASMN1; SMN2
SCHEMBL18105408 0.72 KMT2A (0.35) KDM4EMAPTPOLBATML3MBTL1
SCHEMBL11349870 0.71 KDM1A (0.41) TSHRMAPTPOLBCYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643414-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-05-09 — — 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-11643414-B2 Materials for organic electroluminescent devices SLCO4C1, SLCO2A1, PIEZO1 TSHR 4722/4885KDM4E 2933/4885MAPT 947/4885

“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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