SCHEMBL4322996

SCHEMBL4322996

CC(C)(CO)CO.CC1=CCC(C(=O)O)CC1.CC1=CCC(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.47
▸ PTPN1 P18031 1/20 0.40
▸ ALOX15 P16050 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.34
▸ CES2 O00748 2/20 0.33
▸ POLB P06746 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
Ethylene Glycol SCHEMBL4324703 0.87 LMNA (0.53) LMNAPTPN1ALOX15CYP3A4MEN1
SCHEMBL937050 0.87 LMNA (0.60) LMNAPTPN1ALOX15CYP3A4TSHR
SCHEMBL937318 0.87 LMNA (0.60) LMNAPTPN1ALOX15CYP3A4TSHR
SCHEMBL1037667 0.87 LMNA (0.60) LMNAPTPN1ALOX15CYP3A4TSHR
Hydrochloric Acid SCHEMBL937999 0.85 LMNA (0.58) LMNAPTPN1ALOX15CYP3A4MEN1
Hydrochloric Acid SCHEMBL4354664 0.85 LMNA (0.58) LMNAPTPN1ALOX15CYP3A4MEN1
Ethylene SCHEMBL27605005 0.83 LMNA (0.61) LMNAPTPN1ALOX15CYP3A4MEN1
Ethylenediamine SCHEMBL3332646 0.82 LMNA (0.51) LMNAPTPN1ALOX15CYP3A4MEN1
Propylene Glycol SCHEMBL4322377 0.81 LMNA (0.47) LMNAPTPN1ALOX15CYP3A4MEN1
SCHEMBL3333211 0.77 LMNA (0.46) LMNAPTPN1ALOX15CYP3A4MEN1

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 8 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

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 4608/4885PTPN1 165/4885ALOX15 1225/4885

“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.

Send feedback