SCHEMBL4324700

SCHEMBL4324700

CC1=CCC(C(=O)OCCOC(=O)C2CC=C(C)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 4/20 0.41
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 2/20 0.37
PTPN1 P18031 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNA7 P36544 1/20 0.33
STAT3 P40763 1/20 0.33
PDK1 Q15118 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
TAS2R46 P59540 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
SCHEMBL31601392 0.90 LMNA (0.51) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL17616822 0.90 LMNA (0.51) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL2431486 0.90 LMNA (0.51) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL19189795 0.87 LMNA (0.43) LMNATSHRALDH1A1ALOX15MAPK1
SCHEMBL5950833 0.84 TSHR (0.56) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL4322994 0.84 LMNA (0.46) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL15481289 0.83 LMNA (0.45) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL15482109 0.82 LMNA (0.55) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL9816400 0.82 LMNA (0.55) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL1473473 0.82 TP53 (0.46) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615656-B2 Cycloaliphatic polyepoxy compounds and preparation thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-11-10 US disclosed
US-7429622-B2 Active ray curable ink-jet composition, image forming method using the same, ink-jet recording apparatus, and triarylsulfonium salt compound KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-09-30 US disclosed
US-20080004425-A1 Cycloaliphatic polyepoxy compounds and prepartation thereof DAICEL CHEMICAL INDUSTRIES, LTD. 2008-01-03 US disclosed
EP-1873149-A1 Cycloaliphatic polyepoxy compounds and preparation thereof Daicel Chemical Industries, Ltd. (JP) 2008-01-02 EP disclosed
US-7244473-B2 Active ray curable ink-jet composition, image forming method using the same, ink-jet recording apparatus, and triarylsulfonium salt compound KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-07-17 US disclosed
US-20070054974-A1 Active ray curable ink-jet composition, image forming method using the same, ink-jet recording apparatus, and triarylsulfonium salt compound KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-03-08 US disclosed
US-20060264529-A1 ACTIVE ENERGY RAY CURABLE COMPOSITION KONICA MINOLTA HOLDINGS, INC. (JP) 2006-11-23 US disclosed
US-20040244641-A1 Active ray curable ink-jet composition, image forming method using the same, ink-jet recording apparatus, and triarylsulfonium salt compound KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2004-12-09 US disclosed
US-20040167315-A1 Active energy ray curable composition KONICA MINOLTA HOLDINGS, INC. (JP) 2004-08-26 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-20040244641-A1 Active ray curable ink-jet composition, image forming method using the same, ink-jet recording apparatus, and triarylsulfonium salt compound JAK1, INO80, ROR1 LMNA 4608/4885TSHR 3739/4885ALDH1A1 3331/4885

“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.