SCHEMBL6087221

SCHEMBL6087221

COc1cc(C(N)=O)ccc1OCC(O)CO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.65
CYP1A2 P05177 3/20 0.61
LMNA P02545 3/20 0.61
AGTR1 P30556 1/20 0.61
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
TPMT P51580 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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
SCHEMBL6087260 0.96 CYP1A2 (0.59) MAPK1CYP1A2LMNAAGTR1KDM4E
SCHEMBL17908100 0.87 TSHR (0.64) MAPK1CYP1A2LMNAAGTR1KDM4E
SCHEMBL17908051 0.87 TSHR (0.64) MAPK1CYP1A2LMNAAGTR1KDM4E
SCHEMBL2743809 0.85 MEN1 (0.63) MAPK1CYP1A2LMNAAGTR1KDM4E
SCHEMBL30989216 0.85 MEN1 (0.63) MAPK1CYP1A2LMNAAGTR1KDM4E
SCHEMBL6087272 0.84 CYP1A2 (0.55) MAPK1CYP1A2LMNAAGTR1KDM4E
SCHEMBL9448494 0.84 KDM4E (0.55) CYP1A2AGTR1KDM4E
SCHEMBL4685164 0.84 KDM4E (0.55) CYP1A2AGTR1KDM4E
SCHEMBL4685166 0.84 KDM4E (0.55) CYP1A2AGTR1KDM4E
SCHEMBL3842541 0.83 MAPK1 (0.68) MAPK1CYP1A2TSHRCYP3A4CYP2C9

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015160842-A1 METHODS AND FORMULATIIONS OF CAPSAICINOIDS AND CAPSINOIDS FLEX PHARMA, INC. (US) 2015-10-22 WO claimed
US-5041653-A Antitumor agents SRI INTERNATIONAL (US) 1991-08-20 US claimed
WO-1986006628-A1 BENZAMIDE AND NICOTINAMIDE RADIOSENSITIZERS SRI INTERNATIONAL (US) 1986-11-20 WO claimed
US-20190038573-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE CLIFF-CARTWRIGHT CORPORATION 2019-02-07 US disclosed
EP-3131541-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE Flex Pharma, Inc. (US) 2017-02-22 EP disclosed
US-20170042834-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE CLIFF-CARTWRIGHT CORPORATION 2017-02-16 US disclosed
WO-2015160843-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE FLEX PHARMA, INC. (US) 2015-10-22 WO disclosed
WO-2015160842-A1 METHODS AND FORMULATIIONS OF CAPSAICINOIDS AND CAPSINOIDS FLEX PHARMA, INC. (US) 2015-10-22 WO disclosed
US-7067552-B2 Radiosensitizing taxanes and their pharmaceutical preparations FLORIDA STATE UNIVERSITY (US) 2006-06-27 US disclosed
US-20020040155-A1 Radiosensitizing taxanes and their pharmaceutical preparations FLORIDA STATE UNIVERSITY 2002-04-04 US disclosed
EP-0956016-A4 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS UNIV FLORIDA STATE (US) 2001-11-14 EP disclosed
WO-1998014190-A9 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS 1998-07-30 WO disclosed
WO-1998014190-A1 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS FLORIDA STATE UNIVERSITY (US) 1998-04-09 WO disclosed
WO-1997009979-A9 RADIOSENSITIZING TAXANES AND THEIR PHARMACEUTICAL PREPARATIONS 1997-06-05 WO disclosed
WO-1997009979-A1 RADIOSENSITIZING TAXANES AND THEIR PHARMACEUTICAL PREPARATIONS FLORIDA STATE UNIVERSITY (US) 1997-03-20 WO disclosed
US-5221692-A Antinociceptives NATIONAL SCIENCE COUNCIL (TW) 1993-06-22 US disclosed
US-5215738-A Used for destroying hypoxic tumor cells SRI INTERNATIONAL (US) 1993-06-01 US disclosed
US-5041653-A Antitumor agents SRI INTERNATIONAL (US) 1991-08-20 US disclosed
US-5032617-A Antitumor agents SRI INTERNATIONAL (US) 1991-07-16 US disclosed
WO-1986006628-A1 BENZAMIDE AND NICOTINAMIDE RADIOSENSITIZERS SRI INTERNATIONAL (US) 1986-11-20 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 (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-20020040155-A1 Radiosensitizing taxanes and their pharmaceutical preparations TOP2A, XPA, TP53 MAPK1 4504/4885CYP1A2 2445/4885LMNA 1911/4885

“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.