SCHEMBL26328801

SCHEMBL26328801

Cc1ccc(C(=O)OCC2(C)COC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCD Q05655 1/20 0.43
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ESR1 P03372 1/20 0.41

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) RAB9AALDH1A1NPC1TDP1KMT2A
SCHEMBL25439968 0.88 MAPT (0.45) RAB9AALDH1A1NPC1MAPTTDP1
SCHEMBL26328803 0.88 MAPK1 (0.38) RAB9AALDH1A1NPC1MAPTTDP1
SCHEMBL26330111 0.88 NPC1 (0.49) RAB9AALDH1A1NPC1MAPTTDP1
SCHEMBL25439789 0.86 POLB (0.48) RAB9AALDH1A1NPC1MAPTHPGD
SCHEMBL5375326 0.86 LMNA (0.49) RAB9AALDH1A1NPC1ADRB2ADRB1
SCHEMBL25440125 0.85 APOBEC3A (0.49) RAB9AALDH1A1NPC1MAPTADRB2
SCHEMBL25439927 0.83 KDM4E (0.47) RAB9AALDH1A1MAPTADRB2ADRB1
SCHEMBL28638461 0.82 L3MBTL1 (0.52) RAB9AALDH1A1NPC1MAPTADRB2
SCHEMBL25440024 0.82 ADRB2 (0.51) ALDH1A1MAPTADRB2ADRB1ADRB3

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 RAB9A 4473/4885ALDH1A1 874/4885NPC1 4008/4885

“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.