SCHEMBL2279467

SCHEMBL2279467

O=C(O)C1Cc2ccccc2OC1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MMP3 P08254 1/20 0.43
MMP8 P22894 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSP90AB1 P08238 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
AOC2 O75106 5/20 0.38
MAOA P21397 5/20 0.38
MAOB P27338 5/20 0.38
DAO P14920 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL23124236 0.81 HSP90AB1 (0.50) HPGDTSHRMMP3MMP8SMN1; SMN2
SCHEMBL25438707 0.81 HPGD (0.43) HPGDTSHRMMP3MMP8SMN1; SMN2
SCHEMBL7506591 0.79 MMP3 (0.54) TSHRMMP3MMP8SMN1; SMN2MEN1
SCHEMBL8398009 0.79 MMP3 (0.54) TSHRMMP3MMP8SMN1; SMN2MEN1
SCHEMBL8398017 0.79 MMP3 (0.54) TSHRMMP3MMP8SMN1; SMN2MEN1
SCHEMBL6406067 0.78 HPGD (0.40) HPGDTSHRMMP3MMP8SMN1; SMN2
SCHEMBL6412064 0.78 HPGD (0.40) HPGDTSHRMMP3MMP8SMN1; SMN2
SCHEMBL5109501 0.77 HPGD (0.64) HPGDTSHRSMN1; SMN2HSP90AB1NISCH
SCHEMBL1519327 0.77 HPGD (0.64) HPGDTSHRSMN1; SMN2HSP90AB1NISCH
SCHEMBL5847146 0.77 HPGD (0.64) HPGDTSHRSMN1; SMN2HSP90AB1NISCH

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-20170296505-A1 LONG-CHAIN CARBOXYCHROMANOLS AND ANALOGS FOR USE AS ANTI-INFLAMMATORY AGENTS PURDUE RESEARCH FOUNDATION (US) 2017-10-19 US disclosed
US-9676744-B2 Long-chain carboxychromanols and analogs for use as anti-inflammatory agents PURDUE RESEARCH FOUNDATION (US) 2017-06-13 US disclosed
US-20150073044-A1 LONG-CHAIN CARBOXYCHROMANOLS AND ANALOGS FOR USE AS ANTI-INFLAMMATORY AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-03-12 US disclosed
US-8822529-B2 Long-chain carboxychromanols and analogs for use as anti-inflammatory agents PURDUE RESEARCH FOUNDATION (US) 2014-09-02 US disclosed
US-20110207808-A1 LONG-CHAIN CARBOXYCHROMANOLS AND ANALOGS FOR USE AS ANTI-INFLAMMATORY AGENTS PURDUE RESEARCH FOUNDATION (US) 2011-08-25 US disclosed
WO-2010033687-A1 LONG-CHAIN CARBOXYCHROMANOLS AND ANALOGS FOR USE AS ANTI-INFLAMMATORY AGENTS PURDUE RESEARCH FOUNDATION (US) 2010-03-25 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-20110207808-A1 LONG-CHAIN CARBOXYCHROMANOLS AND ANALOGS FOR USE AS ANTI-INFLAMMATORY AGENTS ALOX12, ALOX5, ALOX15 HPGD 25/4885TSHR 4489/4885MMP3 251/4885
US-20150073044-A1 LONG-CHAIN CARBOXYCHROMANOLS AND ANALOGS FOR USE AS ANTI-INFLAMMATORY AGENTS ALOX12, ALOX5, PTGS1 HPGD 24/4885TSHR 4403/4885MMP3 245/4885
US-20170296505-A1 LONG-CHAIN CARBOXYCHROMANOLS AND ANALOGS FOR USE AS ANTI-INFLAMMATORY AGENTS ALOX12, ALOX5, PTGS1 HPGD 24/4885TSHR 4403/4885MMP3 245/4885

“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.