SCHEMBL294241

SCHEMBL294241

CC[n+]1ccc(CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.52
TSHR P16473 1/20 0.42
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ACHE P22303 2/20 0.33
TERT O14746 1/20 0.33
TP53 P04637 2/20 0.32
VHL P40337 1/20 0.32
ELOC Q15369 1/20 0.32
ELOB Q15370 1/20 0.32
LTA4H P09960 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32

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
SCHEMBL5304573 0.81 TP53 (0.48) TSHRTERTTP53CA2MEN1
SCHEMBL294322 0.79 KMT2A (0.52) CHKATSHRACHETP53MEN1
SCHEMBL12160588 0.79 ALDH1A1 (0.37) TSHRACHETERTTP53MEN1
SCHEMBL21490432 0.79 CHKA (0.56) CHKATSHRNOS3NOS1PRSS1
Iodide SCHEMBL6424906 0.79 TP53 (0.46) TSHRTERTTP53CA2MEN1
SCHEMBL13219287 0.78 CYP4A11 (0.42) CHKAACHETP53LTA4HCA2
Bromide SCHEMBL7319663 0.76 KMT2A (0.59) CHKATSHRACHETP53MEN1
SCHEMBL5294787 0.75 LPL (0.41) CHKAACHETP53CA2MEN1
SCHEMBL10044408 0.74
SCHEMBL25830701 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276917-B1 DEVICE, SYSTEM AND METHOD FOR PROVIDING A REDUCING AGENT FOR A SYSTEM FOR THE SELECTIVE CATALYTIC REDUCTION OF NITROGEN OXIDES BOSCH GMBH ROBERT (DE) 2012-03-14 EP claimed
EP-2276917-A2 DEVICE, SYSTEM AND METHOD FOR PROVIDING A REDUCING AGENT FOR A SYSTEM FOR THE SELECTIVE CATALYTIC REDUCTION OF NITROGEN OXIDES Robert Bosch GmbH (DE) 2011-01-26 EP claimed
WO-2009138296-A2 DEVICE, SYSTEM AND METHOD FOR PROVIDING A REDUCING AGENT FOR A SYSTEM FOR THE SELECTIVE CATALYTIC REDUCTION OF NITROGEN OXIDES ROBERT BOSCH GMBH (DE) 2009-11-19 WO claimed
US-11186545-B2 Phenalene-1-one-containing photosensitizer composition, phenalene-1-one compound and the use thereof TRIOPTOTEC GMBH (DE) 2021-11-30 US disclosed
WO-2020031836-A1 POLYMERIZABLE IONIC LIQUID, POLYMER, CURABLE COMPOSITION, ELECTROCHEMICAL ELEMENT MATERIAL, AND ANTISTATIC MATERIAL セントラル硝子株式会社 2020-02-13 WO disclosed
EP-2276917-B1 DEVICE, SYSTEM AND METHOD FOR PROVIDING A REDUCING AGENT FOR A SYSTEM FOR THE SELECTIVE CATALYTIC REDUCTION OF NITROGEN OXIDES BOSCH GMBH ROBERT (DE) 2012-03-14 EP disclosed
EP-2276917-A2 DEVICE, SYSTEM AND METHOD FOR PROVIDING A REDUCING AGENT FOR A SYSTEM FOR THE SELECTIVE CATALYTIC REDUCTION OF NITROGEN OXIDES Robert Bosch GmbH (DE) 2011-01-26 EP disclosed
WO-2009138296-A2 DEVICE, SYSTEM AND METHOD FOR PROVIDING A REDUCING AGENT FOR A SYSTEM FOR THE SELECTIVE CATALYTIC REDUCTION OF NITROGEN OXIDES ROBERT BOSCH GMBH (DE) 2009-11-19 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 (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-11186545-B2 Phenalene-1-one-containing photosensitizer composition, phenalene-1-one compound and the use thereof PYCR1, CRY1, PPOX CHKA 3041/4885TSHR 4876/4885NOS3 3457/4885

“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.