SCHEMBL9915414

SCHEMBL9915414

CCCCOC(=O)c1cc(OCCCC)c(OCCCC)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C19 P33261 3/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2C9 P11712 2/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ESR1 P03372 9/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.46
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44

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
SCHEMBL9915360 0.84 KDM4E (0.47) TSHRCYP1A2MAPTALDH1A1CYP3A4
SCHEMBL9915365 0.83 MAPT (0.44) TSHRSMN1; SMN2CYP1A2CYP2C19MAPT
SCHEMBL9915498 0.83 KDM4E (0.44) TSHRSMN1; SMN2CYP1A2CYP2C19MAPT
SCHEMBL27449890 0.78 TSHR (0.60) TSHRSMN1; SMN2CYP1A2CYP2C19MAPT
SCHEMBL18417204 0.76 TSHR (0.65) TSHRSMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL9915460 0.76 CYP1A2 (0.38) SMN1; SMN2CYP1A2CYP2C19MAPTALDH1A1
SCHEMBL9915472 0.76 BACE1 (0.41) SMN1; SMN2CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL9915408 0.76 EGLN1 (0.45) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL9915407 0.76 POLB (0.44) SMN1; SMN2MAPTALDH1A1HPGDKDM4E
SCHEMBL3712576 0.75 ESR1 (0.50) TSHRSMN1; SMN2CYP1A2CYP2C19MAPT

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 TSHR 4478/4885SMN1; SMN2 4574/4885CYP1A2 957/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM TSHR 4478/4885SMN1; SMN2 4574/4885CYP1A2 957/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM TSHR 4478/4885SMN1; SMN2 4574/4885CYP1A2 957/4885

“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.