SCHEMBL5018918

SCHEMBL5018918

Cc1[nH]c2ccc(CC(C)C)cc2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 11/20 0.45
HCRTR1 O43613 1/20 0.44
AHR P35869 1/20 0.44
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
GFER P55789 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL30618022 0.83 KMT2A (0.48) ALDH1A1KDM4EHPGDMAPTGABRA1
SCHEMBL2596774 0.83 KMT2A (0.48) ALDH1A1KDM4EHPGDMAPTGABRA1
SCHEMBL5023941 0.80 MAPT (0.57) ALDH1A1KDM4EHPGDTHRBMAPT
SCHEMBL31549972 0.79 KIF11 (0.47) ALDH1A1KDM4EHPGDMAPTGABRA1
SCHEMBL1913689 0.79 MAPT (0.51) ALDH1A1KDM4EHPGDTHRBMAPT
SCHEMBL29586276 0.79 MAPT (0.51) ALDH1A1KDM4EHPGDTHRBMAPT
SCHEMBL11970184 0.77 HCRTR1 (0.49) ALDH1A1KDM4EHPGDTHRBMAPT
SCHEMBL11955040 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTHRBMAPT
SCHEMBL19901835 0.76 KIF11 (0.53) ALDH1A1KDM4EHPGDMAPTHCRTR1
SCHEMBL12352516 0.76 MAPT (0.47) ALDH1A1KDM4EHPGDTHRBMAPT

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
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 ALDH1A1 4062/4885KDM4E 3505/4885HPGD 1709/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 ALDH1A1 4062/4885KDM4E 3505/4885HPGD 1709/4885

“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.