SCHEMBL12697378

SCHEMBL12697378

CCCCOc1c(OC)cccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SCN9A Q15858 1/20 0.51
PPARA Q07869 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.46
CYP2C9 P11712 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL2449812 0.95 SMN1; SMN2 (0.53) CNR2SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6770688 0.94 LMNA (0.54) CNR2SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL13607844 0.92 HTT (0.53) CNR2SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL28919413 0.91 SMN1; SMN2 (0.58) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL9774307 0.91 KMT2A (0.51) CNR2ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL9774386 0.91 ALDH1A1 (0.56) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL6043205 0.88 SMN1; SMN2 (0.59) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL17980842 0.87 TSHR (0.53) ALDH1A1L3MBTL1KDM4EMEN1RECQL
SCHEMBL7827302 0.87 SMN1; SMN2 (0.53) CNR2SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL8080660 0.86 MEN1 (0.57) CNR2LMNAMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150218120-A1 HIV INTEGRASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-06 US disclosed
US-20140142137-A1 HIV INTEGRASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (US) 2014-05-22 US disclosed
WO-2012106534-A2 HIV INTEGRASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-09 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-20140142137-A1 HIV INTEGRASE INHIBITORS IMPDH1, TYMP, IMPA1 CNR2 4787/4885SMN1; SMN2 4523/4885HTT 4595/4885
US-20150218120-A1 HIV INTEGRASE INHIBITORS IMPDH1, TYMP, IMPA1 CNR2 4787/4885SMN1; SMN2 4523/4885HTT 4595/4885

“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.