SCHEMBL7539856

SCHEMBL7539856

O=C1OC(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)(c2ccc(C(F)(F)F)cc2)C(O)=C1O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.37
KIF11 P52732 2/20 0.36
MAPT P10636 1/20 0.36
SCN2A Q99250 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
TGM2 P21980 1/20 0.35
RAB9A P51151 1/20 0.34
PHGDH O43175 1/20 0.34
HSD11B1 P28845 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
SCHEMBL7965276 0.86 HSPB1 (0.40) MAPTPOLBMAPK1RAB9A
SCHEMBL7971836 0.76 APP (0.49) MAPTPOLBCA9RAB9A
SCHEMBL7968670 0.76 KIF11 (0.42) KIF11POLBHSD11B1
SCHEMBL5430351 0.76 CA1 (0.55) KIF11MAPTSCN2ACA1CA2
SCHEMBL7966269 0.74 LMNA (0.40) MAPTPOLBCA9RAB9A
SCHEMBL6932670 0.74 MDM2 (0.38) MAPTPOLBRAB9A
SCHEMBL6932932 0.73 MDM2 (0.38) MAPTRAB9A
SCHEMBL6026229 0.72 ADK (0.39) MAPTPOLBMAPK1CA1CA2
SCHEMBL6932601 0.72 CFTR (0.43) MAPTPOLB
Trifluoromethylbenzene SCHEMBL29273876 0.71 KIF11 (0.55) ABCG2KIF11MAPTSCN2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020141956-A1 Skin whiteners containing hydroxytetronic acid derivatives THE NORTHWESTERN MUTUAL LIFE INSURANCE COMPANY, AS ADMINISTRATIVE AGENT 2002-10-03 US disclosed
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 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-20020141956-A1 Skin whiteners containing hydroxytetronic acid derivatives TYR, PPP6C, CYP26A1 ABCG2 2240/4885KIF11 2193/4885MAPT 1510/4885

“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.