SCHEMBL13697

SCHEMBL13697

Cc1ccc(C)c(OCCCN)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
PPARA Q07869 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP2C9 P11712 2/20 0.54
TTR P02766 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C8 P10632 1/20 0.54
CHRM1 P11229 1/20 0.54
ADRA1A P35348 1/20 0.54
PPARG P37231 1/20 0.54
HTR2B P41595 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
CISD1 Q9NZ45 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL25823520 0.90 TSHR (0.59) TSHRPPARATDP1CYP2C9TTR
SCHEMBL5266458 0.88 TSHR (0.70) TSHRPPARATDP1CYP2C9TTR
SCHEMBL5929495 0.86 TSHR (0.67) TSHRPPARATDP1CYP2C9TTR
SCHEMBL6110605 0.85 SMN1; SMN2 (0.53) TSHRCYP1A2SMN1; SMN2ALDH1A1HTT
SCHEMBL10241943 0.82 TSHR (0.64) TSHRPPARATDP1CYP2C9TTR
SCHEMBL14605587 0.82 TSHR (0.53) TSHRPPARATDP1CYP2C9TTR
SCHEMBL14853435 0.81 ALDH1A1 (0.46) TSHRSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL14015 0.81 FFAR1 (0.44) TSHRPPARATDP1CYP2C9TTR
SCHEMBL13631020 0.81 ACHE (0.59) TDP1CYP2C9CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL5223212 0.81 TSHR (0.62) TSHRPPARATDP1CYP2C9TTR

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-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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 (3 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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT TSHR 4385/4885PPARA 923/4885TDP1 2438/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 TSHR 508/4885PPARA 3262/4885TDP1 4683/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT TSHR 4385/4885PPARA 923/4885TDP1 2438/4885

“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.