SCHEMBL18065675

SCHEMBL18065675

COC(=O)C(CCc1ccccc1)(CCc1ccc(OC)cc1)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ATM Q13315 1/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
GAA P10253 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
ALDH1A1 P00352 3/20 0.53
PLAAT3 P53816 3/20 0.53
PLAAT5 Q96KN8 3/20 0.53
PLAAT2 Q9NWW9 3/20 0.53
PLAAT4 Q9UL19 3/20 0.53
F2RL1 P55085 1/20 0.51
FPR2 P25090 1/20 0.51
ALOX5 P09917 1/20 0.51
PTPN1 P18031 1/20 0.50
LTA4H P09960 1/20 0.50
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL1863984 0.91 PTPN1 (0.51) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL18065719 0.88 NPC1 (0.58) MEN1KMT2AATMNPC1RAB9A
SCHEMBL18085423 0.79 L3MBTL1 (0.50) MEN1KMT2AATMNPC1RAB9A
SCHEMBL10736480 0.79 SLC13A5 (0.49) MEN1KMT2AALDH1A1PTPN1LMNA
SCHEMBL16892959 0.78 F2RL1 (0.53) TAAR1ALDH1A1F2RL1ALOX5
SCHEMBL3266754 0.77 PTPRB (0.71) GAAF2RL1PTPN1
SCHEMBL2355634 0.76 LTA4H (0.75) MEN1KMT2AATMNPC1RAB9A
SCHEMBL24800806 0.76 F2RL1 (0.74) MEN1KMT2AATMNPC1RAB9A
SCHEMBL3971720 0.76 HDAC3 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL9767865 0.74 KCNN4 (0.46) MEN1KMT2ANPC1RAB9AGAA

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 4 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-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 MEN1 4227/4885KMT2A 4731/4885ATM 4398/4885

“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.