SCHEMBL2909577

SCHEMBL2909577

C#CCOC(=O)c1ccc(C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
CA14 Q9ULX7 2/20 0.61
NPC1 O15118 3/20 0.55
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR1 P03372 1/20 0.47
CA7 P43166 1/20 0.47
ESR2 Q92731 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
CYP1A2 P05177 3/20 0.46

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
SCHEMBL176369 0.90 CA12 (0.71) CA12CA1CA2CA9CA14
Terephthalic Acid SCHEMBL28552075 0.85 CA1 (0.65) CA12CA1CA2CA9CA14
SCHEMBL22767273 0.83 TDP1 (0.53) CA12CA1CA2CA9CA14
SCHEMBL7872582 0.83 CA12 (0.63) CA12CA1CA2CA9CA14
SCHEMBL2832918 0.83 CA1 (0.63) CA12CA1CA2CA9CA14
SCHEMBL2908935 0.82 RAB9A (0.49) CA12CA1CA2CA9CA14
SCHEMBL9960375 0.82 CA1 (0.58) CA12CA1CA2CA9CA14
SCHEMBL11410746 0.81 CA12 (0.66) CA12CA1CA2CA9CA14
SCHEMBL576636 0.81 NPC1 (0.69) CA12CA1CA2CA9CA14
SCHEMBL14441122 0.81 CA12 (0.56) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546421-B1 Oncogenic-RAS-signal dependent lethal compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-10-01 US disclosed
US-8546421-B1 Oncogenic-RAS-signal dependent lethal compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-10-01 US disclosed
EP-1975256-B1 Modified oligonucleotides for mismatch discrimination EPOCH BIOSCIENCES INC (US) 2012-07-11 EP disclosed
EP-1975256-B1 Modified oligonucleotides for mismatch discrimination EPOCH BIOSCIENCES INC (US) 2012-07-11 EP disclosed
EP-1261616-B1 MODIFIED OLIGONUCLEOTIDES FOR MISMATCH DISCRIMINATION EPOCH BIOSCIENCES INC (US) 2010-08-18 EP disclosed
EP-1261616-B1 MODIFIED OLIGONUCLEOTIDES FOR MISMATCH DISCRIMINATION EPOCH BIOSCIENCES INC (US) 2010-08-18 EP disclosed
US-7751982-B2 TM leveling methods ELITECH HOLDING B.V. (NL) 2010-07-06 US disclosed
US-7751982-B2 TM leveling methods ELITECH HOLDING B.V. (NL) 2010-07-06 US disclosed
US-7715989-B2 Systems and methods for predicting oligonucleotide melting temperature (TmS) ELITECH HOLDING B.V. (NL) 2010-05-11 US disclosed
US-20100081654-A1 Oncogenic-RAS-signal dependent lethal compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-01 US disclosed
US-20060003349-A1 Tm leveling compositions EPOCH BIOSCIENCES, INC. (US) 2006-01-05 US disclosed
US-6949367-B1 Modified oligonucleotides for mismatch discrimination EPOCH PHARMACEUTICALS, INC. (US) 2005-09-27 US disclosed
EP-1537488-A2 SYSTEMS AND METHODS FOR PREDICTING OLIGONUCLEOTIDE MELTING TEMPERATURES (TMS) Epoch Biosciences, Inc. (US) 2005-06-08 EP disclosed
US-20050075491-A1 TM leveling methods EPOCH BIOSCIENCES, INC. (US) 2005-04-07 US disclosed
US-6683173-B2 CONJUGATING OLIGONUCLEOTIDE WITH 3-SUBSTITUTED PYRAZOLO(3,4-D)PYRIMIDINES AND/OR 5-SUBSTITUTED PYRIMIDINE MINOR GROOVE BINDER EPOCH BIOSCIENCES, INC. 2004-01-27 US disclosed
US-20030235822-A1 Systems and methods for predicting oligonucleotide melting temperature (TmS) EPOCH BIOSCIENCES, INC. 2003-12-25 US disclosed
WO-2003107144-A2 SYSTEMS AND METHODS FOR PREDICTING OLIGONUCLEOTIDE MELTING TEMPERATURES (TMS) EPOCH BIOSCIENCES, INC. (US) 2003-12-24 WO disclosed
US-20030224359-A1 TMLEVELING METHODS EPOCH BIOSCIENCES, INC. 2003-12-04 US disclosed
EP-1261616-A2 MODIFIED OLIGONUCLEOTIDES FOR MISMATCH DISCRIMINATION Epoch Biosciences, Inc. (US) 2002-12-04 EP disclosed
WO-2001064958-A2 MODIFIED OLIGONUCLEOTIDES FOR MISMATCH DISCRIMINATION EPOCH BIOSCIENECS, INC. (US) 2001-09-07 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 (4 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-20100081654-A1 Oncogenic-RAS-signal dependent lethal compounds HRAS, KRAS, NRAS CA12 4177/4885CA1 3747/4885CA2 3593/4885
US-20060003349-A1 Tm leveling compositions RNGTT, TYMS, NT5C3B CA12 4863/4885CA1 4800/4885CA2 4837/4885
US-20050075491-A1 TM leveling methods RNGTT, TYMS, NT5C3B CA12 4819/4885CA1 4802/4885CA2 4827/4885
US-20030224359-A1 TMLEVELING METHODS PTBP3, RNGTT, DTYMK CA12 4858/4885CA1 4849/4885CA2 4861/4885

“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.