SCHEMBL2908935

SCHEMBL2908935

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
ESR1 P03372 3/20 0.46
TSHR P16473 3/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
KDR P35968 1/20 0.46
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA7 P43166 1/20 0.44
ESR2 Q92731 1/20 0.44
ADRB2 P07550 1/20 0.44

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
SCHEMBL18746585 0.91 MEN1 (0.50) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL7876192 0.84 ESR1 (0.61) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL206554 0.83 TDP1 (0.61) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL2834690 0.83 CA12 (0.46) ALDH1A1MAPTTDP1ESR1TSHR
SCHEMBL2909577 0.82 CA12 (0.61) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL576722 0.82 TDP1 (0.63) RAB9ANPC1ALDH1A1TDP1ESR1
SCHEMBL6578044 0.80 TDP1 (0.64) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL13410610 0.80 TSHR (0.59) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL30012749 0.79 KMT2A (0.61) ALDH1A1MAPTTDP1KMT2ACA1
SCHEMBL6057220 0.78 ALDH1A1 (0.72) RAB9ANPC1ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7715989-B2 Systems and methods for predicting oligonucleotide melting temperature (TmS) ELITECH HOLDING B.V. (NL) 2010-05-11 US disclosed
US-7715989-B2 Systems and methods for predicting oligonucleotide melting temperature (TmS) ELITECH HOLDING B.V. (NL) 2010-05-11 US disclosed
EP-1995330-A1 Modified oligonucleotides for mismatch discrimination Epoch Biosciences, Inc. (US) 2008-11-26 EP 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
EP-0251786-B1 Alkynylamino-nucleotides DU PONT (US) 1994-11-30 EP disclosed
US-5151507-A Alkynylamino-nucleotides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-29 US disclosed
US-5047519-A Alkynylamino-nucleotides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-09-10 US disclosed
EP-0251786-A2 Alkynylamino-nucleotides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-07 EP 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-20030224359-A1 TMLEVELING METHODS PTBP3, RNGTT, DTYMK RAB9A 4808/4885NPC1 3418/4885ALDH1A1 3283/4885

“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.