SCHEMBL891695

SCHEMBL891695

C/C=C/c1ccccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
ALOX15 P16050 1/20 0.52
GRIK1 P39086 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIK3 Q13003 1/20 0.46
LMNA P02545 1/20 0.45
KDM4E B2RXH2 3/20 0.45
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA4 P22748 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
HMGB1 P09429 2/20 0.45
HPGD P15428 2/20 0.45
NAPRT Q6XQN6 2/20 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
SCHEMBL728576 1.00 ALDH1A1 (0.52) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL357341 1.00 ALDH1A1 (0.52) ALDH1A1ALOX15GRIK1GRIA1GRIA2
Acetaldehyde SCHEMBL11678453 0.96 ALDH1A1 (0.48) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL70202 0.87 ALDH1A1 (0.62) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL8902281 0.87 ALDH1A1 (0.62) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL70201 0.87 ALDH1A1 (0.62) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL23226919 0.83 LMNA (0.41) ALDH1A1ALOX15LMNAKDM4ECA12
SCHEMBL27715967 0.83 BCHE (0.39) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL2517175 0.83 ALDH1A1 (0.56) ALDH1A1ALOX15LMNAKDM4ECA12
SCHEMBL9497002 0.82 AKR1C3 (0.52) ALDH1A1MAPTKMT2APOLBAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329575-B2 Regulatory sequence for plants CERES, INC. (US) 2019-06-25 US disclosed
US-20180223303-A1 SEQUENCE-DETERMINED DNA FRAGMENTS AND CORRESPONDING POLYPEPTIDES ENCODED THEREBY CERES INC (US) 2018-08-09 US disclosed
US-20170037426-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby ALEXANDROV NICKOLAI (US) 2017-02-09 US disclosed
US-20160076046-A1 PROMOTER, PROMOTER CONTROL ELEMENTS, AND COMBINATIONS, AND USES THEREOF CERES, INC. (US) 2016-03-17 US disclosed
US-9029523-B2 Promoter, promoter control elements, and combinations, and uses thereof CERES, INC. (US) 2015-05-12 US disclosed
US-20150033417-A9 Promoter, promoter control elements, and combinations, and uses thereof ALEXANDROV NICKOLAI (US) 2015-01-29 US disclosed
US-8877916-B2 Promoter, promoter control elements, and combinations, and uses thereof CERES, INC. (US) 2014-11-04 US disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
US-20120159672-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby CERES, INC. 2012-06-21 US disclosed
US-20120084885-A1 Promoter, promoter control elements, and combinations, and uses thereof ALEXANDROV NICKOLAI (US) 2012-04-05 US disclosed
US-20100037355-A1 SEQUENCE-DETERMINED DNA FRAGMENTS AND CORRESPONDING POLYPEPTIDES ENCODED THEREBY CERES, INC (US) 2010-02-11 US disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed
US-7635572-B2 Methods for conducting assays for enzyme activity on protein microarrays Life Technologies Corporation (US) 2009-12-22 US disclosed
US-20090265815-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded therapy ALEXANDROV NICKOLAI 2009-10-22 US disclosed
US-20070214517-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby CERES, INC. (US) 2007-09-13 US disclosed
US-20060150283-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby ALEXANDROV NICKOLAI 2006-07-06 US disclosed
US-20060048240-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby ALEXANDROV NICKOLAI 2006-03-02 US disclosed
CN-1646496-A Novel tricyclic imidazoline derivatives, process for their preparation and their use as medicaments PF MEDICAMENT (FR) 2005-07-27 CN disclosed
US-20050118665-A1 Methods for conducting assays for enzyme activity on protein microarrays PROTOMETRIX, INC. 2005-06-02 US disclosed
US-20050107455-A1 Novel tricycloimidazoline derivatives method for production and use thereof as medicaments PIERRE FABRE MEDICAMENT (FR) 2005-05-19 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 (9 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-20050107455-A1 Novel tricycloimidazoline derivatives method for production and use thereof as medicaments CYP4F3, HRH4, SLCO1B3 ALDH1A1 3053/4885ALOX15 3955/4885GRIK1 1807/4885
US-20170037426-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby RNGTT, CPSF1, CPSF6 ALDH1A1 4769/4885ALOX15 4864/4885GRIK1 4322/4885
US-20150033417-A9 Promoter, promoter control elements, and combinations, and uses thereof RNGTT, GTF3C5, GTF3C1 ALDH1A1 4635/4885ALOX15 4753/4885GRIK1 4273/4885
US-20120084885-A1 Promoter, promoter control elements, and combinations, and uses thereof RNGTT, GTF3C5, GTF3C1 ALDH1A1 4633/4885ALOX15 4759/4885GRIK1 4277/4885
US-20070214517-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby RNGTT, CPSF1, CPSF6 ALDH1A1 4769/4885ALOX15 4864/4885GRIK1 4322/4885
US-20120159672-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby RNGTT, CPSF1, CPSF6 ALDH1A1 4769/4885ALOX15 4864/4885GRIK1 4322/4885
US-20100037355-A1 SEQUENCE-DETERMINED DNA FRAGMENTS AND CORRESPONDING POLYPEPTIDES ENCODED THEREBY RNGTT, CPSF1, CPSF6 ALDH1A1 4769/4885ALOX15 4864/4885GRIK1 4322/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B ALDH1A1 1136/4885ALOX15 3752/4885GRIK1 4795/4885
US-20060048240-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby RNGTT, CPSF1, CPSF6 ALDH1A1 4769/4885ALOX15 4864/4885GRIK1 4322/4885

“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.