SCHEMBL258799

SCHEMBL258799

CCCCCCCCCCCCCCCCOc1ccc(CO)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PLA2G4B P0C869 2/20 0.51
MAPT P10636 3/20 0.50
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
PTPN11 Q06124 1/20 0.46
ESR1 P03372 1/20 0.46
CNR2 P34972 2/20 0.45
NR5A1 Q13285 1/20 0.45
RARB P10826 3/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6567529 0.89 MAPT (0.53) ALDH1A1TDP1PLA2G4BMAPTTP53
SCHEMBL8631234 0.85 MAPT (0.57) ALDH1A1TDP1PLA2G4BMAPTLMNA
SCHEMBL9699866 0.83 PLA2G4B (0.53) ALDH1A1PLA2G4BMAPTTP53TSHR
SCHEMBL38661965 0.83 PLA2G4B (0.53) ALDH1A1PLA2G4BMAPTTP53TSHR
SCHEMBL9277559 0.83 MAPT (0.61) ALDH1A1TDP1PLA2G4BMAPTTSHR
SCHEMBL9581225 0.82 PLA2G4B (0.63) ALDH1A1PLA2G4BMAPTLMNAMAPK1
SCHEMBL11582911 0.82 PLA2G4B (0.63) ALDH1A1PLA2G4BMAPTLMNAMAPK1
SCHEMBL20958135 0.81 MAPT (0.45) ALDH1A1TDP1PLA2G4BMAPTESR1
SCHEMBL20958109 0.81 MAPT (0.45) ALDH1A1TDP1PLA2G4BMAPTESR1
SCHEMBL11827872 0.81 MAPT (0.56) ALDH1A1PLA2G4BMAPTTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946068-B2 Patterned doping of semiconductor substrates using photosensitive monolayers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-02-03 US disclosed
US-20130330918-A1 PATTERNED DOPING OF SEMICONDUCTOR SUBSTRATES USING PHOTOSENSITIVE MONOLAYERS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-12-12 US disclosed
US-8513642-B2 Patterned doping of semiconductor substrates using photosensitive monolayers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-08-20 US disclosed
US-8354333-B2 Patterned doping of semiconductor substrates using photosensitive monolayers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-01-15 US disclosed
US-20120273925-A1 PATTERNED DOPING OF SEMICONDUCTOR SUBSTRATES USING PHOTOSENSITIVE MONOLAYERS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-11-01 US disclosed
US-8227171-B2 Photosensitive self-assembled monolayer for selective placement of hydrophilic structures INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-07-24 US disclosed
US-8057984-B2 Photosensitive self-assembled monolayer for selective placement of hydrophilic structures INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-11-15 US disclosed
US-20110186969-A1 PATTERNED DOPING OF SEMICONDUCTOR SUBSTRATES USING PHOTOSENSITIVE MONOLAYERS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-08-04 US disclosed
US-20110165428-A1 PHOTOSENSITIVE SELF-ASSEMBLED MONOLAYER FOR SELECTIVE PLACEMENT OF HYDROPHILIC STRUCTURES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-07-07 US disclosed
US-7888528-B2 Photosensitive self-assembled monolayer for selective placement of hydrophilic structures INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-02-15 US disclosed
US-20100143847-A1 PHOTOSENSITIVE SELF-ASSEMBLED MONOLAYER FOR SELECTIVE PLACEMENT OF HYDROPHILIC STRUCTURES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-06-10 US disclosed
US-7732119-B2 Photosensitive self-assembled monolayer for selective placement of hydrophilic structures INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-06-08 US disclosed
US-20100003616-A1 PHOTOSENSITIVE SELF-ASSEMBLED MONOLAYER FOR SELECTIVE PLACEMENT OF HYDROPHILIC STRUCTURES GLOBALFOUNDRIES U.S. INC. 2010-01-07 US disclosed
US-20090098347-A1 PHOTOSENSITIVE SELF-ASSEMBLED MONOLAYER FOR SELECTIVE PLACEMENT OF HYDROPHILIC STRUCTURES GLOBALFOUNDRIES U.S. INC. 2009-04-16 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-20100003616-A1 PHOTOSENSITIVE SELF-ASSEMBLED MONOLAYER FOR SELECTIVE PLACEMENT OF HYDROPHILIC STRUCTURES EPCAM, SUN2, CDH1 ALDH1A1 1735/4885TDP1 1424/4885PLA2G4B 1637/4885
US-20090098347-A1 PHOTOSENSITIVE SELF-ASSEMBLED MONOLAYER FOR SELECTIVE PLACEMENT OF HYDROPHILIC STRUCTURES EPCAM, SUN2, CDH1 ALDH1A1 1735/4885TDP1 1424/4885PLA2G4B 1637/4885

“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.