SCHEMBL9915412

SCHEMBL9915412

Cc1cc(O)c(O)c[n+]1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
SERPINE1 P05121 3/20 0.35
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
G6PD P11413 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL14124845 0.76 TRPA1 (0.35) TRPA1SELLSELPSELEACHE
SCHEMBL9915413 0.74 HCAR2 (0.35) TRPA1SELLSELPSELEACHE
SCHEMBL15680568 0.70 ALOX15 (0.33) TRPA1CYP2D6ALOX15ALOX12HSD17B10
SCHEMBL23276948 0.63 TDP1 (0.32) SELLSELPSELEACHEALDH1A1
SCHEMBL69809 0.61 MAPT (0.56) TRPA1SELLSELPSELEACHE
SCHEMBL30385731 0.61 MAPT (0.56) TRPA1SELLSELPSELEACHE
SCHEMBL15495196 0.60 CDC42 (0.35) TRPA1
SCHEMBL30386435 0.59 MAPT (0.53) TRPA1SELLSELPSELEACHE
SCHEMBL67178 0.58 APP (0.47) TRPA1SELLSELPSELEACHE
SCHEMBL17176921 0.57 ACHE (0.47) TRPA1SELLSELPSELEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242999-B2 Cephem compound having pyridinium group SHIONOGI & CO., LTD. (JP) 2016-01-26 US disclosed
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
US-20140114060-A1 CEPHEM COMPOUND HAVING PYRIDINIUM GROUP SHIONOGI & CO., LTD. (JP) 2014-04-24 US 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 (4 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 TRPA1 2014/4885SERPINE1 4689/4885SELL 1107/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM TRPA1 2014/4885SERPINE1 4689/4885SELL 1107/4885
US-20140114060-A1 CEPHEM COMPOUND HAVING PYRIDINIUM GROUP CEP170, PEPD, CMBL TRPA1 3320/4885SERPINE1 4200/4885SELL 4497/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM TRPA1 2014/4885SERPINE1 4689/4885SELL 1107/4885

“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.