SCHEMBL20953490

SCHEMBL20953490

Cc1ccc(/N=C/c2ccccc2C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.49
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP2D6 P10635 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42

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
SCHEMBL17084274 0.93 SIRT2 (0.52) PTGS2SIRT2KMT2AMEN1ALDH1A1
SCHEMBL23907113 0.87 SIRT2 (0.46) PTGS2SIRT2KMT2AMEN1ALDH1A1
SCHEMBL11510186 0.78 PTGS2 (0.54) PTGS2SIRT2KMT2AMEN1ALDH1A1
SCHEMBL1879712 0.76 GAA (0.53) ALDH1A1GAACYP2C9CYP1A2CYP2C19
SCHEMBL13832484 0.75 NFE2L2 (0.53) PTGS2SIRT2KMT2AMEN1ALDH1A1
SCHEMBL3366755 0.75 SIRT2 (0.81) PTGS2SIRT2KMT2AMEN1ALDH1A1
SCHEMBL12851394 0.75 PTGS2 (0.55) PTGS2SIRT2KMT2AMEN1ALDH1A1
SCHEMBL7883088 0.75 PTGS2 (0.51) PTGS2SIRT2KMT2AMEN1ALDH1A1
SCHEMBL7883092 0.75 PTGS2 (0.51) PTGS2SIRT2KMT2AMEN1ALDH1A1
SCHEMBL28964182 0.75 MAPT (0.54) PTGS2SIRT2KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373941-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-11-23 — — US disclosed
US-20230138100-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-05-04 — — US disclosed
US-20220199908-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2022-06-23 — — US disclosed
US-20220158101-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-05-19 — — US disclosed
US-20210147375-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-05-20 — — US disclosed
US-10273404-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-04-30 — — 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 (4 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-20230373941-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP2E1, GPX1, ERCC1 PTGS2 2425/4885SIRT2 2977/4885KMT2A 2053/4885
US-20230138100-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP2C19, ETV6, ESR1 PTGS2 2514/4885SIRT2 2795/4885KMT2A 1666/4885
US-20220158101-A1 MATERIALS FOR ELECTRONIC DEVICES EED, EPHA6, ERCC1 PTGS2 2684/4885SIRT2 3433/4885KMT2A 1528/4885
US-20210147375-A1 MATERIALS FOR ELECTRONIC DEVICES PNMT, EFNA1, TES PTGS2 3708/4885SIRT2 2753/4885KMT2A 291/4885

“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.

Send feedback