SCHEMBL17777983

SCHEMBL17777983

COC(/C(N)=C/c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.37
AKR1C3 P42330 1/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL17773365 0.84 ALDH1A1 (0.40) KMT2ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL1068632 0.75 KMT2A (0.57) KMT2ASMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL8476179 0.75 KMT2A (0.57) KMT2ASMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL11903287 0.75 KMT2A (0.57) KMT2ASMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL1098806 0.71 ALDH1A1 (0.47) KMT2ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL6293778 0.71 ALDH1A1 (0.51) KMT2ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL17766187 0.71 ALDH1A1 (0.47) KMT2ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL9266171 0.71 ALDH1A1 (0.47) KMT2ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL11415424 0.71 ALDH1A1 (0.45) ALDH1A1TSHRAKR1C3
SCHEMBL20496665 0.70 MEN1 (0.37) KMT2AALDH1A1MEN1LMNATSHR

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-9676679-B2 Traceless directing groups in radical cascades: from oligoalkynes to fused helicenes without tethered initators The Florida State University Research Foundation, Inc. (US) 2017-06-13 US disclosed
US-20160145276-A1 TRACELESS DIRECTING GROUPS IN RADICAL CASCADES: FROM OLIGOALKYNES TO FUSED HELICENES WITHOUT TETHERED INITATORS The Florida State University Research Foundation, Inc 2016-05-26 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-20160145276-A1 TRACELESS DIRECTING GROUPS IN RADICAL CASCADES: FROM OLIGOALKYNES TO FUSED HELICENES WITHOUT TETHERED INITATORS OR51E2, OR10J3, ORC3 KMT2A 1938/4885SMN1; SMN2 1433/4885ALDH1A1 1301/4885

“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.