SCHEMBL5018905

SCHEMBL5018905

COc1ccc(Oc2ccc(C(F)(F)F)cc2C(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.64
RAB9A P51151 1/20 0.64
MAPT P10636 4/20 0.53
KDM4E B2RXH2 1/20 0.53
SLC6A4 P31645 4/20 0.52
HTR2A P28223 3/20 0.52
KCNH2 Q12809 3/20 0.52
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SCN8A Q9UQD0 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
P2RX3 P56373 1/20 0.42
P2RX2 Q9UBL9 1/20 0.42
SCN9A Q15858 2/20 0.41
AR P10275 1/20 0.41
FFAR1 O14842 2/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL12618448 0.86 HTR2A (0.50) L3MBTL1RAB9AMAPTSLC6A4HTR2A
SCHEMBL10104549 0.84 L3MBTL1 (0.45) L3MBTL1RAB9AMAPTSLC6A4HTR2A
SCHEMBL5024165 0.81 L3MBTL1 (0.71) L3MBTL1RAB9AMAPTKDM4ESLC6A4
SCHEMBL2978238 0.78 L3MBTL1 (1.00) L3MBTL1RAB9AMAPTKDM4ESLC6A4
SCHEMBL11238861 0.78 L3MBTL1 (0.68) L3MBTL1RAB9AMAPTKDM4ESLC6A4
SCHEMBL12863579 0.76 HTR2A (0.42) L3MBTL1RAB9AMAPTSLC6A4HTR2A
SCHEMBL10711920 0.75 MAPT (0.43) L3MBTL1RAB9AMAPTSLC6A4HTR2A
SCHEMBL18570517 0.75 L3MBTL1 (0.62) L3MBTL1RAB9AMAPTKDM4ESLC6A4
SCHEMBL5455095 0.74 MAPT (0.65) L3MBTL1RAB9AMAPTKDM4ESLC6A4
SCHEMBL12668253 0.74 CYP1A2 (0.52) L3MBTL1MAPTKDM4ESLC6A4HTR2A

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-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 WO 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 L3MBTL1 1868/4885RAB9A 495/4885MAPT 4007/4885

“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.