SCHEMBL797598

SCHEMBL797598

CCCc1c2c(c(CCC)c3cc(I)c(I)cc13)CCCC2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.36
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 2/20 0.31
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 1/20 0.30

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
SCHEMBL797683 0.81 LDHA (0.33) LDHALDHBPDE3BPDE3A
SCHEMBL14804869 0.79 PDE3B (0.37) LDHALDHBPDE3BPDE3AKDM4E
SCHEMBL797250 0.75 ALDH1A1 (0.36) LDHALDHBPDE3BPDE3AKDM4E
SCHEMBL797816 0.70 KDM4E (0.42) ABCB11KDM4EALDH1A1HPGDTSHR
SCHEMBL797175 0.67 ABCB11 (0.33) ABCB11KDM4EALDH1A1HPGDGAA
SCHEMBL797601 0.67 LDHA (0.36) LDHALDHBPDE3BPDE3AKDM4E
SCHEMBL22251965 0.65 MAPT (0.53) ABCB11ALDH1A1MAPTSMN1; SMN2
SCHEMBL797234 0.64 ALDH1A1 (0.39) LDHALDHBPDE3BPDE3AKDM4E
SCHEMBL11263464 0.63 ABCB11 (0.38) ABCB11KDM4EALDH1A1MAPTHPGD
SCHEMBL14804868 0.63 LDHA (0.31) LDHALDHB

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 ABCB11 4176/4885LDHA 2003/4885LDHB 2276/4885
US-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 ABCB11 1212/4885LDHA 2792/4885LDHB 3121/4885

“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.