SCHEMBL18065697

SCHEMBL18065697

CCOC(=O)C(CCc1ccccc1)CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 1/20 0.53
MMP8 P22894 1/20 0.50
PIN1 Q13526 1/20 0.49
EPHX2 P34913 1/20 0.48
PPARG P37231 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL18085413 0.93 SMN1; SMN2 (0.55) SMN1; SMN2MEN1NPC1KMT2AMAPT
SCHEMBL11269284 0.92 SMN1; SMN2 (0.51) SMN1; SMN2MEN1NPC1KMT2AMAPT
SCHEMBL10815672 0.92 CPA3 (0.51) SMN1; SMN2MEN1NPC1KMT2AMAPT
SCHEMBL10815670 0.92 CPA3 (0.51) SMN1; SMN2MEN1NPC1KMT2AMAPT
SCHEMBL18065695 0.92 EPHX2 (0.54) SMN1; SMN2MEN1NPC1KMT2AMAPT
SCHEMBL10815689 0.91 SMN1; SMN2 (0.50) SMN1; SMN2MEN1NPC1KMT2AMAPT
SCHEMBL7453148 0.90 SMN1; SMN2 (0.52) SMN1; SMN2MEN1NPC1KMT2AMAPT
SCHEMBL6778466 0.90 MEN1 (0.53) SMN1; SMN2MEN1NPC1KMT2AMAPT
SCHEMBL5808208 0.89 SMN1; SMN2 (0.49) SMN1; SMN2MEN1NPC1KMT2AMAPT
SCHEMBL8256779 0.89 SMN1; SMN2 (0.55) SMN1; SMN2MEN1NPC1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9950993-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-24 US disclosed
US-9950993-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-24 US disclosed
US-9950993-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-24 US disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 US disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 US disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 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-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 SMN1; SMN2 4878/4885MEN1 4227/4885NPC1 87/4885

“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.