SCHEMBL17022258

SCHEMBL17022258

CCCOc1ccc(C[C@H](C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ACACB O00763 7/20 0.50
ALDH1A1 P00352 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL24983775 0.84 ITGB3 (0.44) L3MBTL1ACACBITGB3ITGA2B
SCHEMBL17022240 0.83 ITGB3 (0.50) LMNAL3MBTL1ACACBALDH1A1ITGB3
SCHEMBL2723926 0.82 LDHA (0.54) ACACBALDH1A1CYP2C19
SCHEMBL13108101 0.82 ACACB (0.51) ACACBITGB3ITGA2B
SCHEMBL15851334 0.80 ADRB2 (0.37) LMNAL3MBTL1ACACBADRB2ADRB1
SCHEMBL15851332 0.80 ADRB2 (0.37) L3MBTL1ACACBALDH1A1ADRB2ADRB1
SCHEMBL15851322 0.80 ADRB2 (0.37) L3MBTL1ACACBALDH1A1ADRB2ADRB1
SCHEMBL16940459 0.80 ITGB3 (0.51) ACACBITGB3ITGA2B
SCHEMBL8628683 0.79 ESR1 (0.47)
SCHEMBL15697338 0.79 ESR1 (0.47)

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-9550704-B2 Method for synthesizing radiopharmaceuticals using a cartridge FUTURECHEM CO., LTD. (KR) 2017-01-24 US disclosed
US-20150232392-A1 METHOD FOR SYNTHESIZING RADIOPHARMACEUTICALS USING A CARTRIDGE FUTURECHEM CO., LTD. (KR) 2015-08-20 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-20150232392-A1 METHOD FOR SYNTHESIZING RADIOPHARMACEUTICALS USING A CARTRIDGE ADCYAP1R1, PAICS, SSTR5 LMNA 3812/4885L3MBTL1 4666/4885ACACB 832/4885

“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.