SCHEMBL4472607

SCHEMBL4472607

CCC(=O)[C@H]1CC=C(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.55
▸ TSHR P16473 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALOX15 P16050 4/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ TAS2R46 P59540 6/20 0.33
▸ TAS2R31 P59538 2/20 0.33
▸ TAS2R10 Q9NYW0 2/20 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
SCHEMBL4740720 1.00 LMNA (0.55) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL10831405 0.86 LMNA (0.51) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL25622935 0.80 LMNA (0.46) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL3930807 0.80 LMNA (0.53) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL2431486 0.79 LMNA (0.51) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL31601392 0.79 LMNA (0.51) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL15450107 0.79 LMNA (0.66) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL937050 0.79 LMNA (0.60) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL12909964 0.79 LMNA (0.66) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL1783157 0.79 LMNA (0.66) LMNATSHRALDH1A1NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592463-B2 An imidazolidinone compounds is used in reaction as catalyst to lower the energy level of the lowest unoccupied molecular orbital CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-09-22 — — US disclosed
US-7592463-B2 An imidazolidinone compounds is used in reaction as catalyst to lower the energy level of the lowest unoccupied molecular orbital CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-09-22 — — US disclosed
EP-1461320-B1 ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INST OF TECHN (US) 2008-04-09 — — EP disclosed
US-20030220507-A1 Enantioselective transformation of alpha,beta-unsaturated ketones using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-11-27 — — 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-20030220507-A1 Enantioselective transformation of alpha,beta-unsaturated ketones using chiral organic catalysts HACL2, EBP, MED1 LMNA 1897/4885TSHR 4272/4885ALDH1A1 8/4885

“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.

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