SCHEMBL16755692

SCHEMBL16755692

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
MAOB P27338 4/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APP P05067 1/20 0.43
SNCA P37840 1/20 0.43
TYR P14679 1/20 0.43
TRPA1 O75762 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 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
SCHEMBL16772406 0.92 RAB9A (0.44) PTGS2MAOBRAB9AKDM4EMAPT
SCHEMBL8582883 0.82 PTGS2 (0.55) PTGS2MAOBRAB9AKDM4EMAPT
SCHEMBL19789802 0.78 MAOB (0.47) PTGS2MAOBRAB9AKDM4EMAPT
SCHEMBL28731104 0.74
SCHEMBL7793551 0.72 MAOB (0.60) PTGS2MAOBRAB9AKDM4EMAPT
SCHEMBL7793547 0.72 MAOB (0.60) PTGS2MAOBRAB9AKDM4EMAPT
SCHEMBL16755697 0.72 MAOB (0.42) PTGS2MAOBRAB9AKDM4EMAPT
SCHEMBL806603 0.72 TRPA1 (0.48) PTGS2MAOBRAB9AKDM4EMAPT
SCHEMBL3859044 0.70 MAOB (0.44) PTGS2MAOBRAB9AKDM4EMAPT
SCHEMBL18417133 0.69 TRPA1 (0.57) RAB9AKDM4EMAPTNPC1SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110664816-A SECA inhibitors and methods of making and using the same 佐治亚州立大学研究基金会公司 2020-01-10 CN disclosed
EP-3409666-A2 SECA INHIBITORS AND METHODS OF MAKING AND USING THEREOF Georgia State University Research Foundation, Inc. (US) 2018-12-05 EP disclosed
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-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-9957247-B2 SecA inhibitors and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-01 US disclosed
EP-2861580-B1 SECA INHIBITORS AND METHODS OF MAKING AND USING THEREOF UNIV GEORGIA STATE RES FOUND (US) 2018-04-25 EP disclosed
EP-2861580-B1 SECA INHIBITORS AND METHODS OF MAKING AND USING THEREOF UNIV GEORGIA STATE RES FOUND (US) 2018-04-25 EP 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
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 PTGS2 3140/4885MAOB 2736/4885RAB9A 492/4885
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof SEC61B, SEC61A1, SEC23A PTGS2 3140/4885MAOB 2736/4885RAB9A 492/4885

“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.