SCHEMBL17860704

SCHEMBL17860704

CCCCOC(=O)C1(CC)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.45
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 13/20 0.40
HCAR2 Q8TDS4 1/20 0.40
NAAA Q02083 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL17882031 0.88 HCAR2 (0.36) ALDH1A1TSHRLMNAACHEHCAR2
SCHEMBL17860867 0.85 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL28017587 0.84 LMNA (0.44) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL16887600 0.84 ALDH1A1 (0.38) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL17878535 0.82 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL17860719 0.80 ABCB11 (0.30) TSHRLMNA
SCHEMBL9017765 0.79 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL27800388 0.79 LMNA (0.40) ALDH1A1HPGDLMNAPOLBSMN1; SMN2
SCHEMBL2295307 0.79 ALDH1A1 (0.42) ALDH1A1ATMTSHRLMNAPOLB
SCHEMBL31050190 0.78 CYP3A4 (0.39) ALDH1A1TSHRHPGDLMNAPOLB

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-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2016-06-30 US disclosed
WO-2016100578-A2 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2016-06-23 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-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS VIP, AQP1, PEF1 ALDH1A1 4807/4885ATM 4383/4885TSHR 4793/4885

“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.