SCHEMBL17878586

SCHEMBL17878586

CCCC(C)C(=O)Oc1ccc(C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 4/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
XBP1 P17861 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ESR1 P03372 1/20 0.42
HIF1A Q16665 1/20 0.42
ELANE P08246 1/20 0.42
MAPT P10636 1/20 0.41
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL28010051 0.87 LMNA (0.45) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL17882061 0.85 LMNA (0.48) SMN1; SMN2NPC1L3MBTL1ALDH1A1KDM4E
SCHEMBL20138640 0.85 ESR1 (0.44) SMN1; SMN2L3MBTL1XBP1ALDH1A1KDM4E
SCHEMBL15547810 0.83 ESR1 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL27658112 0.83 ALDH1A1 (0.46) SMN1; SMN2HPGDALDH1A1KDM4EELANE
SCHEMBL1794534 0.83 KDM4E (0.48) SMN1; SMN2RAB9AHPGDNPC1L3MBTL1
SCHEMBL17055505 0.83 KDM4E (0.48) SMN1; SMN2RAB9AHPGDNPC1L3MBTL1
SCHEMBL17848853 0.82 MAPT (0.54) ELANEMAPTKMT2A
SCHEMBL28241122 0.81 HDAC3 (0.42) SMN1; SMN2ALDH1A1KDM4EELANEPRSS1
SCHEMBL18211356 0.78 ELANE (0.66) SMN1; SMN2RAB9AHPGDNPC1L3MBTL1

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 SMN1; SMN2 4279/4885RAB9A 3999/4885HPGD 1590/4885

“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.