SCHEMBL13760820

SCHEMBL13760820

C=CC(O)c1cc2ccccc2n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ DAO P14920 1/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TERT O14746 1/20 0.41
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SLC9A1 P19634 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
SCHEMBL11600616 0.79 MCL1 (0.53) MCL1KMT2ADAOMEN1KDM4E
SCHEMBL31291305 0.79 MCL1 (0.53) MCL1KMT2ADAOMEN1KDM4E
SCHEMBL21807358 0.75 MCL1 (0.57) MCL1KMT2ADAOMEN1KDM4E
SCHEMBL9887744 0.74 KMT2A (0.55) MCL1KMT2ADAOMEN1KDM4E
SCHEMBL28360338 0.74 MCL1 (0.46) MCL1KMT2ADAOMEN1NPC1
SCHEMBL21807395 0.73 MCL1 (0.47) MCL1KMT2ADAOMEN1KDM4E
SCHEMBL2423816 0.73 MCL1 (0.47) MCL1KMT2ADAOMEN1KDM4E
SCHEMBL21638907 0.73 IDO1 (0.47) MCL1KMT2ADAOMEN1KDM4E
SCHEMBL28360301 0.73 MCL1 (0.44) MCL1KMT2ADAOMEN1KDM4E
SCHEMBL5391757 0.73 RECQL (0.62) MCL1KMT2AMEN1ALDH1A1MAPT

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-8314246-B2 Catalytic reactions involving alkenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-11-20 — — US disclosed
US-20090216025-A1 Catalytic reactions involving alkenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-08-27 — — 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-20090216025-A1 Catalytic reactions involving alkenes ADH5, ADH1C, ADH1A MCL1 3293/4885KMT2A 1499/4885DAO 489/4885

“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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