SCHEMBL21173227

SCHEMBL21173227

C/C=C1\C(=O)c2cc(F)c(F)cc2C1=C(C#N)C#N

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
EGFR P00533 4/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL25656474 1.00 MAPT (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL24960484 0.86 MAPT (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL21935906 0.84 MAPT (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL24960478 0.84 MAPT (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL21173225 0.84 USP8 (0.40) MAPTPKMALDH1A1GAAEGFR
SCHEMBL25656471 0.84 LCK (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL21173224 0.84 LCK (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL25612614 0.84 USP8 (0.40) MAPTPKMALDH1A1GAAEGFR
SCHEMBL24960488 0.84 ALDH1A1 (0.33) MAPTPKMALDH1A1GAAEGFR
SCHEMBL20821300 0.84 ALDH1A1 (0.33) MAPTPKMALDH1A1GAAEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022033993-A1 PHOTOACTIVE MATERIAL CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2022-02-17 WO disclosed
WO-2021156605-A1 PHOTOACTIVE MATERIAL SUMITOMO CHEMICAL CO., LTD (JP) 2021-08-12 WO disclosed
US-20200251661-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-08-06 US disclosed
WO-2019137354-A1 THIOPHENE-BASED FUSED AROMATIC SYSTEMS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-07-18 WO 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-20200251661-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME ODC1, OR10J3, CYP1A1 MAPT 3296/4885PKM 2476/4885ALDH1A1 82/4885

“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.