SCHEMBL179019

SCHEMBL179019

O=C(NCC1CCC2OCOC2C1)C1CCCN1Cc1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.47
MAPT P10636 1/20 0.45
MMP1 P03956 1/20 0.44
MMP7 P09237 1/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 3/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL8230861 0.81 MAPT (0.63) MAPTALDH1A1HPGDNPSR1MEN1
SCHEMBL6222847 0.76 MEN1 (0.58) MCHR1MMP1MMP7MMP8MMP12
SCHEMBL3560068 0.76 MEN1 (0.58) MCHR1MMP1MMP7MMP8MMP12
SCHEMBL179017 0.72 CXCR4 (0.46) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL13037173 0.67 NOS2 (0.66) ALDH1A1MEN1KMT2A
SCHEMBL9275514 0.64 MEN1 (0.61) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL9275532 0.64 MEN1 (0.61) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8544018 0.64 POLB (0.57) MCHR1MAPTALDH1A1HPGDNPSR1
SCHEMBL107960 0.64 ERCC1 (0.60) ALDH1A1CYP3A4CYP2C19CYP2C9SMN1; SMN2
SCHEMBL145365 0.64 ERCC1 (0.60) ALDH1A1CYP3A4CYP2C19CYP2C9SMN1; SMN2

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-8754133-B2 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH, INC. (US) 2014-06-17 US disclosed
US-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases PROTAMED, INC. 2012-03-08 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-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases NR1H2, NR1H3, MSR1 MCHR1 1564/4885MAPT 1930/4885MMP1 1583/4885

“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.