SCHEMBL160529

SCHEMBL160529

O=[C]C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.39
PTPN1 P18031 1/20 0.37
MAPK1 P28482 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CES1 P23141 2/20 0.35
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
ALOX15 P16050 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL1552420 0.86 ESR1 (0.54) TSHRALDH1A1CA1CA2CA9
SCHEMBL28317844 0.79 LTA4H (0.50) TSHRCA1CA2CA9
SCHEMBL1444134 0.73 ATM (0.45) KCNN4TSHRALDH1A1MAPK1
SCHEMBL6379499 0.72 KCNN4 (0.50) KCNN4TSHRALDH1A1CYP1A2PTPN1
SCHEMBL10344433 0.72 CYP1A2 (0.41) KCNN4TSHRALDH1A1CYP1A2PTPN1
SCHEMBL874380 0.72 TSHR (0.50) KCNN4TSHRALDH1A1CYP1A2PTPN1
SCHEMBL2349213 0.72 TSHR (0.50) KCNN4TSHRALDH1A1CYP1A2PTPN1
SCHEMBL438486 0.72 TSHR (0.50) KCNN4TSHRALDH1A1CYP1A2PTPN1
SCHEMBL439194 0.72 ALDH1A1 (0.41) KCNN4TSHRALDH1A1CYP1A2PTPN1
SCHEMBL56734 0.72 MAPK1 (0.44) KCNN4TSHRALDH1A1CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114364661-A Mechanical redox reaction using piezoelectric material and manufacturing method using the same 国立大学法人北海道大学 2022-04-15 CN claimed
CN-103003288-B Oligonucleotide analogues with modified intersubunit linkages and/or terminal groups 萨勒普塔医疗公司 2019-06-21 CN claimed
CN-107353317-A The oligonucleotide analogs of key and/or end group between subunit with modification 萨勒普塔医疗公司 2017-11-17 CN claimed
US-8779128-B2 Oligonucleotide analogues having modified intersubunit linkages and/or terminal groups SAREPTA THERAPEUTICS, INC. (US) 2014-07-15 US claimed
EP-2576574-A2 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS Sarepta Therapeutics, Inc. (US) 2013-04-10 EP claimed
US-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2012-03-15 US claimed
WO-2011150408-A2 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS AVI BIOPHARMA, INC. (US) 2011-12-01 WO claimed
US-20090300800-A1 D-Amino Acid a Selectable Marker for Barley (Hordeum Vulgare L.) Transformation BASF PLANT SCIENCE GMBH (DE) 2009-12-03 US claimed
US-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PARAECIS PHARMACEUTICALS, INC. (US) 2007-10-25 US claimed
US-20060014696-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PRAECIS PHARMACEUTICALS, INC. (US) 2006-01-19 US claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
EP-0328111-B1 Cancer cell metastasis inhibitors MEIJI SEIKA CO (JP) 2000-01-19 EP claimed
US-5985242-A PEPTIDE OF 3 TO 5 D-AMINO ACIDS; MAY BE MODIFIED AT AMINO-AND/OR CARBOXY TERMINUS; FOR TREATMENT OF AMYLOIDOSIS, ALZHEIMER'S DISEASE PRAECIS PHARMACEUTICALS, INC. (US) 1999-11-16 US claimed
EP-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 EP claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS 1998-05-28 WO claimed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 WO claimed
US-4534898-A 1-Oxa-1-dethia-cephalosporin derivatives MERCK & CO., INC. (US) 1985-08-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS NSUN2, UPF1, RTCB KCNN4 4778/4885TSHR 2993/4885ALDH1A1 2803/4885
US-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 KCNN4 4377/4885TSHR 3040/4885ALDH1A1 3218/4885
US-20060014696-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 KCNN4 4377/4885TSHR 3040/4885ALDH1A1 3218/4885

“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.