SCHEMBL26328803

SCHEMBL26328803

CC(=O)c1ccc(C(=O)OCC2(C)COC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
ESR1 P03372 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ESR2 Q92731 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ACACB O00763 1/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL14839397 0.94 ESR1 (0.42) MAPK1RAB9AKMT2AESR1CA12
SCHEMBL25439968 0.88 MAPT (0.45) MAPK1RAB9AMAPTHPGDESR1
SCHEMBL26330111 0.88 NPC1 (0.49) MAPK1RAB9AMAPTKMT2AHPGD
SCHEMBL26328801 0.88 RAB9A (0.49) MAPK1RAB9AMAPTKMT2AHPGD
SCHEMBL25439789 0.86 POLB (0.48) RAB9AMAPTKMT2AHPGDL3MBTL1
SCHEMBL5375326 0.86 LMNA (0.49) MAPK1RAB9AKMT2AALDH1A1LMNA
SCHEMBL25440125 0.85 APOBEC3A (0.49) RAB9AMAPTCA1CA2ESR2
SCHEMBL25439927 0.83 KDM4E (0.47) MAPK1RAB9AMAPTKMT2AL3MBTL1
SCHEMBL25439955 0.82 ADRB2 (0.49) MAPTKMT2AL3MBTL1CA1CA2
SCHEMBL25440024 0.82 ADRB2 (0.51) MAPTKMT2AL3MBTL1ALDH1A1PRKCA

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-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 MAPK1 4745/4885RAB9A 4473/4885MAPT 1269/4885

“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.