SCHEMBL24239792

SCHEMBL24239792

CC(=N)C(C)(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39

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
SCHEMBL11505025 0.79 MAPT (0.56) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL1623120 0.78 KMT2A (0.61) MAPTKMT2AALDH1A1ALOX15ESR1
Hydrochloric Acid SCHEMBL1238222 0.76 KMT2A (0.59) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL27848760 0.75 CYP2C19 (0.42) MAPTKMT2AALDH1A1ALOX15ESR1
Hydrogen Peroxide SCHEMBL1652477 0.75 MAPT (0.64) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL343807 0.75 MAPT (0.64) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL2023918 0.75 MAPT (0.52) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL5327804 0.75 HDAC3 (0.48) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL4315140 0.73 MAPT (0.61) MAPTKMT2AALDH1A1ALOX15ESR1
Ammonia Solution, Strong SCHEMBL5160347 0.73 MAPT (0.61) MAPTKMT2AALDH1A1ALOX15ESR1

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-20230046065-A1 MERGING C(sp3)-H ACTIVATION WITH DNA-ENCODING THE SCRIPPS RESEARCH INSTITUTE 2023-02-16 US disclosed
US-20220037599-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-02-03 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-20220037599-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE L1CAM, TLL1, TLL2 MAPT 542/4885KMT2A 1319/4885ALDH1A1 223/4885

“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.