SCHEMBL17878617

SCHEMBL17878617

CCCOP(=O)(OCCC)C(C)C(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
CYP3A4 P08684 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL17878591 0.89 CYP3A4 (0.47) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL17860895 0.82 HMGCR (0.34) HMGCRMEN1KMT2ALMNALPAR3
SCHEMBL6307077 0.80 HCAR2 (0.34) HMGCRMEN1KMT2ALMNALPAR3
SCHEMBL10604611 0.74 CA12 (0.33) HMGCRMEN1KMT2ALMNACYP3A4
SCHEMBL7620707 0.72 LMNA (0.38) LMNA
SCHEMBL4449824 0.72 LPAR5 (0.39) HMGCRMEN1KMT2ALMNALPAR3
SCHEMBL2982691 0.71 ALDH1A1 (0.37) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL17860958 0.71 CYP3A4 (0.48) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL6311879 0.69 CYP3A4 (0.47) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL12942609 0.69 PLA2G2A (0.37) LMNAGAA

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 2 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

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 HMGCR 4303/4885MEN1 2965/4885KMT2A 4316/4885

“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.