SCHEMBL1502357

SCHEMBL1502357

CC(C)=CCC/C(C)=C/COc1cccc(-c2cncn2CC(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NDUFS8 O00217 1/20 0.41
COXFA4 O00483 1/20 0.41
NDUFAB1 O14561 1/20 0.41
NDUFA1 O15239 1/20 0.41
NDUFS4 O43181 1/20 0.41
NDUFB5 O43674 1/20 0.41
NDUFB3 O43676 1/20 0.41
NDUFC1 O43677 1/20 0.41
NDUFA2 O43678 1/20 0.41
NDUFS5 O43920 1/20 0.41
NDUFS7 O75251 1/20 0.41
NDUFS2 O75306 1/20 0.41
NDUFS6 O75380 1/20 0.41
NDUFB1 O75438 1/20 0.41
NDUFS3 O75489 1/20 0.41
NDUFB6 O95139 1/20 0.41
NDUFA3 O95167 1/20 0.41

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
SCHEMBL1502360 1.00 ALOX15 (0.41) ALOX15TDP1KDM4ENDUFS8COXFA4
SCHEMBL1501829 0.81 CYP11B1 (0.38) KDM4EALDH1A1CYP3A4MAPT
SCHEMBL29466608 0.77 CLK2 (0.37) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL24183231 0.74 ALOX15 (0.60) ALOX15TDP1KDM4ENDUFS8COXFA4
SCHEMBL1502376 0.73 CYP11B1 (0.46) KDM4EALDH1A1
SCHEMBL4899475 0.71 ALOX15 (0.54) ALOX15TDP1KDM4ENDUFS8COXFA4
SCHEMBL4899481 0.71 ALOX15 (0.54) ALOX15TDP1KDM4ENDUFS8COXFA4
SCHEMBL1501932 0.71 IDO1 (0.50)
SCHEMBL24183240 0.70 ALOX15 (0.55) ALOX15TDP1KDM4ENDUFS8COXFA4
SCHEMBL7539831 0.70 ALOX15 (0.47) ALOX15TDP1KDM4ENDUFS8COXFA4

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
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP disclosed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO 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-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT ALOX15 707/4885TDP1 1338/4885KDM4E 271/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT ALOX15 707/4885TDP1 1338/4885KDM4E 271/4885

“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.