SCHEMBL61069

SCHEMBL61069

CCN(CCO)c1cccc(O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
CYP3A4 P08684 2/20 0.76
TSHR P16473 2/20 0.50
HTR7 P34969 3/20 0.48
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
PSMD14 O00487 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1600066 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRHTR7DRD2
SCHEMBL10782495 0.87 ALDH1A1 (0.79) ALDH1A1CYP3A4TSHRHTR7DRD2
SCHEMBL29379172 0.87 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRHTR7DRD2
SCHEMBL124477 0.87 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRHTR7DRD2
SCHEMBL22166479 0.85 ALDH1A1 (0.81) ALDH1A1CYP3A4TSHRHTR7DRD2
Hydrochloric Acid SCHEMBL11588143 0.85 ALDH1A1 (0.96) ALDH1A1CYP3A4TSHRHTR7DRD2
Ethane SCHEMBL27716473 0.85 ALDH1A1 (0.96) ALDH1A1CYP3A4TSHRHTR7DRD2
SCHEMBL7542537 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRHTR7DRD2
SCHEMBL7074346 0.84 ALDH1A1 (0.73) ALDH1A1CYP3A4TSHRHTR7DRD2
SCHEMBL11067328 0.83 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129525-B2 Long wavelength thiol-reactive fluorophores BECTON DICKINSON AND COMPANY (US) 2012-03-06 US disclosed
US-8129525-B2 Long wavelength thiol-reactive fluorophores BECTON DICKINSON AND COMPANY (US) 2012-03-06 US disclosed
US-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 US disclosed
US-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 US disclosed
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2011-07-28 US disclosed
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2011-07-28 US disclosed
EP-2223971-A1 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2010-09-01 EP disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 US disclosed
US-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 US disclosed
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-01-07 US disclosed
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-01-07 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 US disclosed
EP-2036953-A2 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2009-03-18 EP disclosed
EP-0428939-B1 Cumarin derivatives, process for their preparation, their use and thiazolylacetic acid derivatives as intermediate BAYER AG (DE) 1996-01-17 EP disclosed
US-5300656-A Immunoassay BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
EP-0428939-A2 Cumarin derivatives, process for their preparation, their use and thiazolylacetic acid derivatives as intermediate BAYER AG (DE) 1991-05-29 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 (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-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 ALDH1A1 1435/4885CYP3A4 1548/4885TSHR 3983/4885
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 ALDH1A1 1435/4885CYP3A4 1548/4885TSHR 3983/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 ALDH1A1 1435/4885CYP3A4 1548/4885TSHR 3983/4885

“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.