SCHEMBL16772406

SCHEMBL16772406

COc1ccc2c(c1)Oc1cc(C)ccc1C2=C(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS2 P35354 1/20 0.42
MAOB P27338 6/20 0.41
LMNA P02545 1/20 0.40
ACHE P22303 2/20 0.39
TYR P14679 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
APP P05067 1/20 0.38
SNCA P37840 1/20 0.38
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
TRPA1 O75762 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL16755692 0.92 PTGS2 (0.47) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL16772588 0.76 MAOB (0.43) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL8582883 0.75 PTGS2 (0.55) RAB9AMAPTKDM4ENPC1PTGS2
SCHEMBL19789802 0.72 MAOB (0.47) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL12511050 0.70 MAOB (0.44) RAB9AMAPTKDM4ESMN1; SMN2MAOB
SCHEMBL7793547 0.69 MAOB (0.60) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL7793551 0.69 MAOB (0.60) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL26767999 0.69 METAP1 (0.49) RAB9ASMN1; SMN2MAOBMEN1KMT2A
SCHEMBL31545185 0.69 MAPKAPK2 (0.44) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL16772571 0.69 MAPKAPK2 (0.44) RAB9AMAPTKDM4ENPC1SMN1; SMN2

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-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
US-9957247-B2 SecA inhibitors and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-01 US disclosed
US-20150152077-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 2015-06-04 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 (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-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF SEC61B, SEC61A1, SEC23A RAB9A 492/4885MAPT 3791/4885KDM4E 3978/4885
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof SEC61B, SEC61A1, SEC23A RAB9A 492/4885MAPT 3791/4885KDM4E 3978/4885

“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.