SCHEMBL735130

SCHEMBL735130

CCCCC(CC)Cc1ccc2ccccc2c1CC(CC)CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
CA2 P00918 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 5/20 0.37
NCEH1 Q6PIU2 1/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 5/20 0.34
HTT P42858 5/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
TDP1 Q9NUW8 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GLA P06280 2/20 0.34
RCE1 Q9Y256 1/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 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
SCHEMBL20719965 0.90 KDM4E (0.38) ALDH1A1KDM4ENCEH1LMNAGAA
SCHEMBL249229 0.88 KDM4E (0.39) ALDH1A1KDM4ENCEH1LMNAGAA
SCHEMBL29593911 0.88 KDM4E (0.39) ALDH1A1KDM4ENCEH1LMNAGAA
SCHEMBL20719932 0.88 KDM4E (0.39) ALDH1A1KDM4ENCEH1LMNAGAA
SCHEMBL11224767 0.84 ALDH1A1 (0.37) ALDH1A1CA2CYP3A4KDM4ELMNA
SCHEMBL29080838 0.83 L3MBTL1 (0.42) ALDH1A1CA2CYP3A4KDM4ELMNA
SCHEMBL19465407 0.83 MME (0.43) ALDH1A1CA2CYP3A4KDM4ECYP1A2
SCHEMBL5174961 0.83 SLC2A1 (0.39) ALDH1A1KDM4ENCEH1LMNAGAA
SCHEMBL30395252 0.81 ALDH1A1 (0.45) ALDH1A1CA2CYP3A4KDM4ELMNA
SCHEMBL2200087 0.81 HTT (0.36) ALDH1A1CA2CYP3A4KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661900-A1 IRON-CATALYZED TRANSFER HYDROGENATION OF ESTERS TO ALCOHOLS Eastman Chemical Company (US) 2020-06-10 EP disclosed
WO-2019027967-A1 IRON-CATALYZED TRANSFER HYDROGENATION OF ESTERS TO ALCOHOLS EASTMAN CHEMICAL COMPANY (US) 2019-02-07 WO disclosed
EP-2067782-B2 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND THEIR PRODUCTION METHODS TOSOH CORP (JP) 2018-06-27 EP disclosed
EP-2067782-B1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND THEIR PRODUCTION METHODS TOSOH CORP (JP) 2014-08-13 EP disclosed
US-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 US disclosed
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-10-22 US disclosed
EP-2067782-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND THEIR PRODUCTION METHODS Tosoh Corporation (JP) 2009-06-10 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 (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-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME AS3MT, TERT, TEAD1 ALDH1A1 2196/4885CA2 400/4885CYP3A4 754/4885

“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.