SCHEMBL23009349

SCHEMBL23009349

CC/C=C\C=C\NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH7 P40394 1/20 0.47
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
EPHX2 P34913 2/20 0.40
FAAH O00519 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
IDO1 P14902 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 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
SCHEMBL887919 0.86 ADH1B (0.52) ADH1BADH1CADH1AADH7MAPT
SCHEMBL1101278 0.86 ADH1B (0.52) ADH1BADH1CADH1AADH7MAPT
SCHEMBL27261754 0.86 ADH1B (0.52) ADH1BADH1CADH1AADH7MAPT
SCHEMBL19415688 0.81 ADH1B (0.50) ADH1BADH1CADH1AADH7MAPT
SCHEMBL8713797 0.77 ADH1B (0.65) ADH1BADH1CADH1AADH7MAPT
SCHEMBL29798082 0.77 ADH1B (0.65) ADH1BADH1CADH1AADH7MAPT
SCHEMBL19512775 0.75 ADH1B (0.52) ADH1BADH1CADH1AADH7MAPT
SCHEMBL28140348 0.75 ADH1B (0.63) ADH1BADH1CADH1AADH7MAPT
SCHEMBL12605372 0.74 ADH1B (0.56) ADH1BADH1CADH1AADH7MAPT
SCHEMBL14159090 0.74 ADH1B (0.56) ADH1BADH1CADH1AADH7MAPT

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-11312733-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-04-26 US disclosed
US-20210047348-A1 Silylated Derivatives Of Aromatic Heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY 2021-02-18 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-11312733-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 ADH1B 3381/4885ADH1C 2512/4885ADH1A 2180/4885
US-20210047348-A1 Silylated Derivatives Of Aromatic Heterocycles KCNH1, KCNH3, HNRNPH3 ADH1B 3381/4885ADH1C 2512/4885ADH1A 2180/4885

“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.