SCHEMBL25827944

SCHEMBL25827944

CC(C)(C)CCCOCCc1ccc(COC(=O)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
ELANE P08246 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
MET P08581 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
KCNH2 Q12809 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL25826615 0.83 SMN1; SMN2 (0.38) SMN1; SMN2MAPTLMNAROCK2
SCHEMBL27305897 0.78 ELANE (0.52) ELANEPRKCAPRKCDNPC1SMN1; SMN2
SCHEMBL25826617 0.78 FFAR1 (0.35) ELANECA1SMN1; SMN2ROCK2
SCHEMBL25827946 0.76 HRH3 (0.43) HRH3KCNH2
SCHEMBL27421364 0.74 L3MBTL1 (0.40) HRH3ELANECA1KCNH2NPC1
SCHEMBL26271028 0.74 ESR1 (0.53) ELANEPRKCAPRKCDNPC1SMN1; SMN2
SCHEMBL17803839 0.73 MEN1 (0.55) ELANELMNA
SCHEMBL29023035 0.72 NPC1 (0.53) ELANECA12CA1METCA4
SCHEMBL859603 0.72 MAOB (0.49) ELANECA1CA9NPC1MAPT
SCHEMBL20590261 0.72 ALDH1A1 (0.60) ELANEPRKCAPRKCDNPC1SMN1; SMN2

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-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 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-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS HRH3 2453/4885ELANE 1964/4885CA12 1051/4885

“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.