SCHEMBL16772471

SCHEMBL16772471

Cc1c(Br)cc2c(c1Br)OCCC21OC(=O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.42
AKR1C1 Q04828 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 3/20 0.36
HSP90AA1 P07900 1/20 0.36
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
ALOX12 P18054 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPY5R Q15761 3/20 0.33
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
AVPR1A P37288 3/20 0.32

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
SCHEMBL16775287 0.85 PRMT1 (0.40) PRMT1AKR1C1OPRM1OPRD1NPSR1
SCHEMBL16772402 0.74 NPSR1 (0.45) PRMT1NPSR1LMNAPOLBMAPT
SCHEMBL16772538 0.73 MEN1 (0.59) PRMT1AKR1C1OPRM1OPRD1NPSR1
SCHEMBL20468554 0.71 NPSR1 (0.37) NPSR1LMNAPOLBMAPTSMN1; SMN2
SCHEMBL18932171 0.69 PRMT1 (0.86) PRMT1AKR1C1OPRM1OPRD1NPSR1
SCHEMBL20080293 0.67 MAPT (0.56) PRMT1AKR1C1OPRM1OPRD1NPSR1
SCHEMBL16755703 0.67 CYP3A4 (0.44) LMNAMAPTALOX12MEN1KMT2A
SCHEMBL20468616 0.67 MAPT (0.39) PRMT1NPSR1LMNAPOLBMAPT
SCHEMBL17109313 0.65 PRMT1 (0.59) PRMT1AKR1C1OPRM1OPRD1NPSR1
SCHEMBL9039746 0.64 HCAR2 (0.54) AKR1C1OPRM1OPRD1NPSR1LMNA

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 PRMT1 2590/4885AKR1C1 3973/4885OPRM1 4524/4885
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof SEC61B, SEC61A1, SEC23A PRMT1 2590/4885AKR1C1 3973/4885OPRM1 4524/4885

“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.