SCHEMBL20468616

SCHEMBL20468616

CCc1ccc2c(c1)OCCC21OC(=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
PARP1 P09874 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PDK2 Q15119 1/20 0.36
FTO Q9C0B1 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAP3K14 Q99558 1/20 0.35
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL16772402 0.83 NPSR1 (0.45) MAPTLMNASMN1; SMN2L3MBTL1CYP3A4
SCHEMBL20080293 0.81 MAPT (0.56) MAPTLMNASMN1; SMN2RAB9AL3MBTL1
SCHEMBL16755703 0.80 CYP3A4 (0.44) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL6669631 0.72 MAP3K14 (0.43) PARP1MEN1KMT2AMAP3K14
SCHEMBL22326839 0.72 MAP3K14 (0.43) SMN1; SMN2RAB9ANPC1PARP1MEN1
SCHEMBL10175851 0.68 FTO (0.79) MAPTLMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28344489 0.67 DRD2 (0.38) MAPTSMN1; SMN2RAB9AL3MBTL1NPC1
SCHEMBL16772471 0.67 PRMT1 (0.42) MAPTLMNASMN1; SMN2L3MBTL1NPSR1
SCHEMBL15642030 0.66 MAPT (0.52) MAPTLMNASMN1; SMN2MAPK1RAB9A
SCHEMBL9009686 0.65 MAP3K14 (0.34) SMN1; SMN2MAP3K14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-08-09 US 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-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF SEC61B, SEC61A1, SEC23A MAPT 3791/4885LMNA 2463/4885SMN1; SMN2 4007/4885

“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.