SCHEMBL9915360

SCHEMBL9915360

CCCCOc1cnc(C(=O)O)cc1OCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RXRA P19793 3/20 0.46
TP53 P04637 2/20 0.42

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
SCHEMBL18032968 0.86 TRPC6 (0.46) KDM4EMAPTTSHRALDH1A1MEN1
SCHEMBL9915365 0.85 MAPT (0.44) KDM4EMAPTTSHRALDH1A1MEN1
SCHEMBL9915498 0.85 KDM4E (0.44) KDM4EMAPTTSHRALDH1A1MEN1
SCHEMBL9915414 0.84 TSHR (0.54) KDM4EMAPTTSHRALDH1A1MEN1
SCHEMBL18031339 0.84 TRPC6 (0.51) KDM4EMAPTTSHRALDH1A1ALOX15
SCHEMBL9915408 0.81 EGLN1 (0.45) KDM4EMAPTALDH1A1LMNARXRA
SCHEMBL11844383 0.80 TSHR (0.49) KDM4EMAPTTSHRALDH1A1MEN1
Hydrochloric Acid SCHEMBL11846398 0.79 TSHR (0.48) KDM4EMAPTTSHRALDH1A1MEN1
SCHEMBL9915472 0.79 BACE1 (0.41) MEN1LMNACYP1A2KMT2AHTT
SCHEMBL9915460 0.79 CYP1A2 (0.38) KDM4EMAPTALDH1A1MEN1LMNA

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 KDM4E 2610/4885MAPT 3674/4885TSHR 4478/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM KDM4E 2610/4885MAPT 3674/4885TSHR 4478/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM KDM4E 2610/4885MAPT 3674/4885TSHR 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.