SCHEMBL10089222

SCHEMBL10089222

O=C1Oc2cc3c(cc2=C1c1ccccc1)OC(=O)C=3c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
KMT2A Q03164 2/20 0.41
PDE4B Q07343 1/20 0.38
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
PGR P06401 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NTSR1 P30989 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
P2RX7 Q99572 1/20 0.34
PTGS1 P23219 1/20 0.34
PLA2G2A P14555 1/20 0.34

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
SCHEMBL8083991 0.89 ESR1 (0.49) PTGS2KMT2AMAPTMEN1NTSR1
SCHEMBL17430489 0.86 PTGS2 (0.42) PTGS2KMT2AMAPTPGRKDM4E
SCHEMBL8089080 0.85 BACE1 (0.47) KMT2APDE4BMAPTKDM4EMEN1
SCHEMBL8433324 0.83 ALDH1A1 (0.38) PTGS2KMT2APDE4BMAPTHTT
SCHEMBL11377638 0.83 PTGS2 (0.40) PTGS2KMT2AMAPTMEN1TDP1
SCHEMBL11206138 0.83 PTGS2 (0.37) PTGS2KMT2AMAPT
SCHEMBL17430478 0.82 CYP19A1 (0.51) PTGS2KMT2AMAPTHTTKDM4E
SCHEMBL571799 0.82 MAPK1 (0.39) PTGS2KMT2AMAPTLMNAHTT
SCHEMBL8432224 0.81 ALDH1A1 (0.44) PTGS2PDE4BMAPTKDM4EALDH1A1
SCHEMBL11206044 0.81 NR1H2 (0.40) PTGS2PDE4BMAPT

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-20200208007-A1 STIMULI-RESPONSIVE COLOR-CHANGING FUNCTIONAL COATING, PREPARATION METHOD AND APPLICATION THEREOF UNIVERSITY OF AKRON 2020-07-02 US disclosed
WO-2012017005-A2 POLYMERS BASED ON BENZODIONES BASF SE (DE) 2012-02-09 WO disclosed
US-7737286-B2 α-Hydroxy-benzeneacetic acid derivatives, and compounds having two 5-membered latone rings fused to central cyclohexa-1,4-diene nucleus based upon the same, and uses of the compounds KYUNG-IN SYNTHETIC CORPORATION (KR) 2010-06-15 US disclosed
US-7737286-B2 α-Hydroxy-benzeneacetic acid derivatives, and compounds having two 5-membered latone rings fused to central cyclohexa-1,4-diene nucleus based upon the same, and uses of the compounds KYUNG-IN SYNTHETIC CORPORATION (KR) 2010-06-15 US disclosed
US-20070220688-A1 Alpha-Hydroxy-Benzeneacetic Acid Derivatives, and Compounds Having Two 5-Membered Latone Rings Fused to Central Cyclohexa-1,4-Diene Nucleus Based Upon the Same, and Uses of the Compounds KYUNG-IN SYNTHETIC CORPORATION (KR) 2007-09-27 US disclosed
US-20070220688-A1 Alpha-Hydroxy-Benzeneacetic Acid Derivatives, and Compounds Having Two 5-Membered Latone Rings Fused to Central Cyclohexa-1,4-Diene Nucleus Based Upon the Same, and Uses of the Compounds KYUNG-IN SYNTHETIC CORPORATION (KR) 2007-09-27 US 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-20070220688-A1 Alpha-Hydroxy-Benzeneacetic Acid Derivatives, and Compounds Having Two 5-Membered Latone Rings Fused to Central Cyclohexa-1,4-Diene Nucleus Based Upon the Same, and Uses of the Compounds LDHA, HCAR1, HPD PTGS2 2384/4885KMT2A 555/4885PDE4B 3009/4885

“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.