SCHEMBL16772402

SCHEMBL16772402

Cc1ccc2c(c1)OCCC21OC(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.40
CYP19A1 P11511 3/20 0.40
POLB P06746 2/20 0.40
ALOX12 P18054 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
NPY5R Q15761 1/20 0.39
AVPR1A P37288 3/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FTO Q9C0B1 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
SMAD3 P84022 1/20 0.37
PRMT1 Q99873 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
SCHEMBL20080293 0.84 MAPT (0.56) NPSR1LMNAMAPTPOLBALOX12
SCHEMBL16755703 0.83 CYP3A4 (0.44) LMNAMAPTCYP19A1ALOX12NPY5R
SCHEMBL20468616 0.83 MAPT (0.39) NPSR1LMNAMAPTPOLBALOX12
SCHEMBL16772539 0.76 SMN1; SMN2 (0.40) CYP19A1KMT2ASMN1; SMN2
SCHEMBL16772471 0.74 PRMT1 (0.42) NPSR1LMNAMAPTPOLBALOX12
SCHEMBL20465468 0.73 SMN1; SMN2 (0.39) MAPTCYP19A1MEN1KMT2ASMN1; SMN2
SCHEMBL5936701 0.71 MAPT (0.69) NPSR1LMNAMAPTPOLBALOX12
SCHEMBL19889240 0.70 MAP3K14 (0.40) MAPTCYP19A1
SCHEMBL5835328 0.70 RARA (0.40) MAPTTDP1SMN1; SMN2CYP3A4
SCHEMBL10347954 0.69 MAPT (0.66) NPSR1LMNAMAPTPOLBALOX12

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 NPSR1 4121/4885LMNA 2463/4885MAPT 3791/4885
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof SEC61B, SEC61A1, SEC23A NPSR1 4121/4885LMNA 2463/4885MAPT 3791/4885

“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.