SCHEMBL17878581

SCHEMBL17878581

CCCc1ccc(C(F)(F)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
PLK1 P53350 1/20 0.39
CA2 P00918 1/20 0.37
KIF11 P52732 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PSMB5 P28074 1/20 0.36
MGLL Q99685 1/20 0.35
MAOB P27338 1/20 0.35
POLB P06746 2/20 0.35
CTDSP1 Q9GZU7 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL13957679 0.83 TSHR (0.38) TAAR1LPLLIPGPLK1KIF11
SCHEMBL1696674 0.79 TAAR1 (0.61) TAAR1LPLLIPGPLK1KCNH2
SCHEMBL17878577 0.78 MAOB (0.38) TAAR1KIF11L3MBTL1MAOBALDH1A1
SCHEMBL3905629 0.78 ALDH1A1 (0.36) TAAR1CA2L3MBTL1KCNH2TMEM97
SCHEMBL3898640 0.78 EPHX2 (0.38) TAAR1CA2KIF11L3MBTL1ALDH1A1
Ammonia Solution, Strong SCHEMBL6193177 0.77 TAAR1 (0.59) TAAR1LPLLIPGPLK1KCNH2
SCHEMBL17882028 0.77 LPL (0.43) TAAR1LPLLIPGPLK1CA2
SCHEMBL14393590 0.77 LPL (0.43) TAAR1LPLLIPGPLK1CA2
SCHEMBL28991905 0.77 CA2 (0.45) TAAR1LPLLIPGPLK1CA2
SCHEMBL7903780 0.75 MAOB (0.40) TAAR1LPLLIPGPLK1KIF11

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-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2016-06-30 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-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS VIP, AQP1, PEF1 TAAR1 4703/4885LPL 2694/4885LIPG 2954/4885

“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.