SCHEMBL689377

SCHEMBL689377

COc1ccc(-c2ccc(OCc3ccccc3)c(C)c2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 1/20 0.46
PTGES O14684 1/20 0.46
ABCB1 P08183 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
FFAR1 O14842 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL7251545 0.84 PTGES (0.57) MAPTMEN1KMT2ARAB9APTGES
SCHEMBL9314457 0.84 RAB9A (0.58) MAPTMEN1KMT2ARAB9AABCB1
SCHEMBL10046155 0.83 RAB9A (0.48) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL18487331 0.81 C5AR1 (0.47) MAPTABCB1MRGPRX4FFAR1MAPK1
SCHEMBL7250438 0.79 PTGES (0.57) MAPTMEN1KMT2ARAB9APTGES
SCHEMBL30189830 0.79 KMT2A (0.53) MAPTMEN1KMT2ARAB9AABCB1
SCHEMBL3926941 0.79 KMT2A (0.53) MAPTMEN1KMT2ARAB9AABCB1
SCHEMBL7251777 0.78 PTGES (0.60) MAPTMEN1KMT2ARAB9APTGES
SCHEMBL7005180 0.77 KMT2A (0.59) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL1031014 0.77 PTGES (0.49) MAPTMEN1KMT2ARAB9APTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457639-B2 Fluorescent regulators of RASSF1A expression and human cancer cell proliferation GEORGETOWN UNIVERSITY (US) 2019-10-29 US disclosed
EP-2484666-A1 Fluorescent regulators of RASSF1A expression and human cancer cell proliferation Georgetown University (US) 2012-08-08 EP disclosed
EP-2323982-B1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION UNIV GEORGETOWN (US) 2012-02-29 EP disclosed
US-20110152339-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION GEORGETOWN UNIVERSITY 2011-06-23 US disclosed
EP-2323982-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION Georgetown University (US) 2011-05-25 EP disclosed
US-20100130579-A1 CANCER THERAPY GEORGETOWN UNIVERSITY (US) 2010-05-27 US disclosed
WO-2010019271-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION GEORGETOWN UNIVERSITY (US) 2010-02-18 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-20110152339-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION RASSF5, RASSF2, MKI67 MAPT 4658/4885MEN1 3506/4885KMT2A 454/4885
US-20100130579-A1 CANCER THERAPY RASSF5, RASSF2, DNMT1 MAPT 3975/4885MEN1 2048/4885KMT2A 37/4885
US-10457639-B2 Fluorescent regulators of RASSF1A expression and human cancer cell proliferation RASSF5, RASSF2, MKI67 MAPT 4658/4885MEN1 3506/4885KMT2A 454/4885

“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.