SCHEMBL797059

SCHEMBL797059

CCCc1c(CO)c(CO)c(CCC)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.41
CYP1A2 P05177 2/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NCEH1 Q6PIU2 1/20 0.38
CFTR P13569 2/20 0.37
HTT P42858 3/20 0.37
CYP2D6 P10635 1/20 0.37
SLC2A1 P11166 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 1/20 0.36
GCGR P47871 1/20 0.36

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
SCHEMBL7915227 0.85 KDM4E (0.58) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL10695260 0.85 KDM4E (0.58) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL797469 0.83 KDM4E (0.67) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL5678561 0.79 KDM4E (0.53) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL797401 0.79 LDHA (0.37) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL10530656 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL3730672 0.78 KDM4E (0.56) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL796895 0.77 KDM4E (0.55) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL797164 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL797440 0.77 GCGR (0.34) KDM4EALDH1A1HPGDGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262469-B1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2012-01-11 EP disclosed
US-7901594-B2 Electroconductivity JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2011-03-08 US disclosed
US-20050240061-A1 Functional thin film JAPAN SCIENCE AND TECHNOLOGY AGENCY 2005-10-27 US disclosed
EP-1493796-A1 FUNCTIONAL THIN FILM Japan Science and Technology Agency (JP) 2005-01-05 EP disclosed
US-20030116755-A1 Polyacene derivatives and production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-06-26 US disclosed
EP-1262469-A1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-12-04 EP 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-20050240061-A1 Functional thin film H1-10, H1-0, H1-2 KDM4E 2385/4885ALDH1A1 1285/4885HPGD 4240/4885
US-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 KDM4E 1200/4885ALDH1A1 591/4885HPGD 532/4885

“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.