SCHEMBL12147162

SCHEMBL12147162

CCOCOCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
AGXT P21549 2/20 0.52
TSHR P16473 2/20 0.46
NAAA Q02083 2/20 0.44
TAAR1 Q96RJ0 2/20 0.42
HSP90AB1 P08238 1/20 0.41
GSTP1 P09211 1/20 0.40
ABCC4 O15439 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PTGS1 P23219 1/20 0.38
HTT P42858 1/20 0.38
FFAR1 O14842 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2614813 0.90 IDO1 (0.57) IDO1AGXTTSHRNAAATAAR1
SCHEMBL5353833 0.88 TSHR (0.61) IDO1AGXTTSHRRAB9A
SCHEMBL23906770 0.85 TSHR (0.42) IDO1AGXTTSHR
Biphenyl SCHEMBL9577700 0.85 ALDH1A1 (0.47) IDO1AGXTTAAR1NPC1RAB9A
SCHEMBL1337544 0.81 AGXT (0.43) IDO1AGXTTSHRNAAA
SCHEMBL2781355 0.81 TSHR (0.70) IDO1AGXTTSHRNAAATAAR1
SCHEMBL13681248 0.81 KEAP1 (0.36) IDO1AGXTNAAATAAR1GSTP1
SCHEMBL10601291 0.79 TSHR (0.75) IDO1AGXTTSHRNAAATAAR1
SCHEMBL13813779 0.78 IDO1 (0.53) IDO1AGXTTSHRNAAATAAR1
Ether SCHEMBL9719783 0.78 TP53 (0.54) IDO1AGXTTSHRTAAR1ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110287549-A1 TIME TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2011-11-24 US disclosed
US-20110287549-A1 TIME TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2011-11-24 US disclosed
WO-2010092030-A1 TIME-TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2010-08-19 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-20110287549-A1 TIME TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS TPI1, TTI1, TST IDO1 1091/4885AGXT 955/4885TSHR 1420/4885

“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.