SCHEMBL9915387

SCHEMBL9915387

CCCCOC(=O)C1(O)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
ATM Q13315 1/20 0.44
TSHR P16473 5/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
NAAA Q02083 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
ESR1 P03372 2/20 0.37
EPHX1 P07099 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1H2 P55055 1/20 0.36

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
SCHEMBL9915527 0.96 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL12055777 0.92 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL16086201 0.82 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL18500644 0.82 ALDH1A1 (0.41) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL18500642 0.82 ALDH1A1 (0.41) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL18500647 0.82 ALDH1A1 (0.41) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL23199851 0.81 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL234860 0.81 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL14463170 0.81 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL18500641 0.80 ALDH1A1 (0.43) ALDH1A1ATMTSHRHPGDKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
US-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 US disclosed
WO-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 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 (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-20130252935-A1 Monobactams MGAM, MGAM2, BPGM ALDH1A1 1829/4885ATM 3137/4885TSHR 4478/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM ALDH1A1 1829/4885ATM 3137/4885TSHR 4478/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM ALDH1A1 1829/4885ATM 3137/4885TSHR 4478/4885

“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.