SCHEMBL21775989

SCHEMBL21775989

Cc1ccc(C2(c3ccc(C)cc3)c3c(F)c4c(c(F)c3-c3sc5cc(/C=C6\C(=O)c7ccccc7C6=C(C#N)C#N)ccc5c32)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2c-4sc3cc(/C=C4\C(=O)c5ccccc5C4=C(C#N)C#N)ccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LCK P06239 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
SCHEMBL21775985 0.87 ALDH1A1 (0.33) ALDH1A1MAPTHPGDKMT2A
SCHEMBL21156737 0.86 ALDH1A1 (0.31) ALDH1A1MAPTHPGDKMT2A
SCHEMBL21776014 0.85 KMT2A (0.31) MEN1ALDH1A1MAPTPKMHPGD
SCHEMBL19917226 0.84
SCHEMBL24060713 0.84 ALDH1A1 (0.30) ALDH1A1MAPTHPGDKMT2A
SCHEMBL21156735 0.82
SCHEMBL21776032 0.81 ALDH1A1 (0.32) ALDH1A1MAPTHPGDKMT2A
SCHEMBL22382789 0.79 LCK (0.36) MEN1ALDH1A1MAPTPKMHPGD
SCHEMBL21775988 0.78 KMT2A (0.31) MEN1ALDH1A1MAPTPKMHPGD
SCHEMBL21776017 0.77 KMT2A (0.34) MEN1ALDH1A1MAPTPKMHPGD

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-20200066998-A1 ORGANIC SEMICONDUCTING COMPONDS MERCK PATENT GMBH (DE) 2020-02-27 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-20200066998-A1 ORGANIC SEMICONDUCTING COMPONDS EED, OCIAD2, OCIAD1 KDM4E 576/4885MEN1 1917/4885ALDH1A1 2698/4885

“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.