SCHEMBL4322994

SCHEMBL4322994

CC1=CCC(C(=O)OCC(C)(C)COC(=O)C2CC=C(C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALOX15 P16050 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 2/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CHRNA7 P36544 1/20 0.36
STAT3 P40763 1/20 0.36
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
PDK1 Q15118 1/20 0.33
SERPINE1 P05121 1/20 0.33
CCNT1 O60563 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
SCHEMBL3334653 0.92 LMNA (0.42) LMNAALOX15TSHRMAPK1CYP3A4
SCHEMBL2431486 0.87 LMNA (0.51) LMNAALOX15TSHRMAPK1RAB9A
SCHEMBL31601392 0.87 LMNA (0.51) LMNAALOX15TSHRMAPK1RAB9A
SCHEMBL15481289 0.87 LMNA (0.45) LMNAALOX15TSHRMAPK1CYP3A4
SCHEMBL17616822 0.84 LMNA (0.51) LMNAALOX15TSHRMAPK1CYP3A4
SCHEMBL4324700 0.84 LMNA (0.51) LMNAALOX15TSHRMAPK1CYP3A4
SCHEMBL18516818 0.82 LMNA (0.41) LMNAALOX15TSHRMAPK1CYP3A4
SCHEMBL5950833 0.79 TSHR (0.56) LMNAALOX15TSHRMAPK1CYP3A4
SCHEMBL23091554 0.79 TSHR (0.46) LMNAALOX15TSHRMAPK1RAB9A
SCHEMBL29777417 0.79 TSHR (0.46) LMNAALOX15TSHRMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160074856-A1 RECOVERY METHOD AND REUSE METHOD OF OXO ACID CATALYST DAICEL CORPORATION (JP) 2016-03-17 US disclosed
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 (2 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-20160074856-A1 RECOVERY METHOD AND REUSE METHOD OF OXO ACID CATALYST HAO2, HAO1, AOX1 LMNA 4809/4885ALOX15 153/4885TSHR 1773/4885
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 4608/4885ALOX15 1225/4885TSHR 3739/4885

“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.