SCHEMBL801382

SCHEMBL801382

CC(=O)C(C)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.59
PTGS1 P23219 6/20 0.59
ALDH1A1 P00352 5/20 0.59
HPGD P15428 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 2/20 0.59
CXCR1 P25024 2/20 0.59
CXCR2 P25025 2/20 0.59
KDM4E B2RXH2 2/20 0.59
LMNA P02545 2/20 0.59
RECQL P46063 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPK1 P28482 1/20 0.59
PMP22 Q01453 1/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CXCL8 P10145 1/20 0.59
THPO P40225 1/20 0.59
HIF1A Q16665 1/20 0.59
CYP2C9 P11712 2/20 0.53

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
SCHEMBL7704968 0.90 PTGS2 (0.71) PTGS2PTGS1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5313395 0.90 PTGS2 (0.71) PTGS2PTGS1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8021929 0.85 PTGS2 (0.54) PTGS2PTGS1ALDH1A1HPGDSMN1; SMN2
Benzophenone SCHEMBL28643466 0.84 PTGS2 (0.79) PTGS2PTGS1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4465718 0.84 PTGS1 (0.84) PTGS2PTGS1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4486185 0.84 PTGS1 (0.84) PTGS2PTGS1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4485618 0.84 PTGS1 (0.84) PTGS2PTGS1ALDH1A1HPGDSMN1; SMN2
SCHEMBL10253819 0.83 PTGS2 (0.59) PTGS2PTGS1ALDH1A1HPGDSMN1; SMN2
SCHEMBL85843 0.83 PTGS2 (0.59) PTGS2PTGS1ALDH1A1HPGDSMN1; SMN2
Hydrogen Peroxide SCHEMBL11781309 0.83 PTGS2 (0.59) PTGS2PTGS1ALDH1A1HPGDSMN1; SMN2

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-9452220-B2 Coupling compounds of NSAID anti-inflammatory and analgesic drugs and EGFR kinase inhibitors, synthesis methods and applications thereof GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-27 US disclosed
US-20160175453-A1 COUPLING COMPOUNDS OF NSAID ANTI-INFLAMMATORY AND ANALGESIC DRUGS AND EGFR KINASE INHIBITORS, SYNTHESIS METHODS AND APPLICATIONS THEREOF GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-06-23 US disclosed
US-20120070856-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2012-03-22 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 (2 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-20160175453-A1 COUPLING COMPOUNDS OF NSAID ANTI-INFLAMMATORY AND ANALGESIC DRUGS AND EGFR KINASE INHIBITORS, SYNTHESIS METHODS AND APPLICATIONS THEREOF EGFR, CHUK, ERBB2 PTGS2 9/4885PTGS1 5/4885ALDH1A1 1509/4885
US-20120070856-A1 CROSS-LINKING AGENTS ORC3, TXN, PROC PTGS2 2779/4885PTGS1 2562/4885ALDH1A1 2055/4885

“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.