SCHEMBL11477273

SCHEMBL11477273

C=CCCc1ccc(CBr)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TRPA1 O75762 1/20 0.40
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
PYCR1 P32322 1/20 0.31
THRB P10828 1/20 0.31
XDH P47989 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHKA P35790 1/20 0.30
HTR2A P28223 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL9004469 0.87 GFER (0.36) TSHRALDH1A1TDP1THRBXDH
SCHEMBL6285109 0.85 GFER (0.41) TSHRALDH1A1TDP1THRBXDH
SCHEMBL410871 0.81 TAAR1 (0.50) PYCR1HTR2ATAAR1
SCHEMBL8854472 0.80 HRH3 (0.41) TSHRALDH1A1THRBXDHTP53
SCHEMBL13130154 0.79 THRA (0.41) ALDH1A1TDP1THRBTP53CYP3A4
SCHEMBL9004496 0.76 ALDH1A1 (0.33) ALDH1A1THRBXDH
SCHEMBL1149698 0.76 TAAR1 (0.50) TSHRALDH1A1TDP1THRBTP53
SCHEMBL16682341 0.76 GFER (0.59) TSHRALDH1A1TDP1CYP3A4CHKA
SCHEMBL9004494 0.76 ALDH1A1 (0.33) ALDH1A1THRBXDH
SCHEMBL5543474 0.76 THRB (0.34) TSHRALDH1A1THRBXDHTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170182170-A1 Nitric Oxide Donors MEDICAL RESEARCH COUNCIL (GB) 2017-06-29 US disclosed
US-20170182170-A1 Nitric Oxide Donors MEDICAL RESEARCH COUNCIL (GB) 2017-06-29 US disclosed
US-9629859-B2 Nitric oxide donors MEDICAL RESEARCH COUNCIL (NZ) 2017-04-25 US disclosed
US-9629859-B2 Nitric oxide donors MEDICAL RESEARCH COUNCIL (NZ) 2017-04-25 US disclosed
US-20150250804-A1 Nitric Oxide Donors UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2015-09-10 US disclosed
US-20150250804-A1 Nitric Oxide Donors UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2015-09-10 US disclosed
US-9045505-B2 Nitric oxide donors UNIVERSITY OF OTAGO (NZ) 2015-06-02 US disclosed
US-9045505-B2 Nitric oxide donors UNIVERSITY OF OTAGO (NZ) 2015-06-02 US disclosed
WO-2010110684-A1 NITRIC OXIDE DONORS SMITH ROBIN ANDREW JAMES (NZ) 2010-09-30 WO disclosed
US-20100240615-A1 NITRIC OXIDE DONORS University of Orago (NZ) 2010-09-23 US disclosed
US-20100240615-A1 NITRIC OXIDE DONORS University of Orago (NZ) 2010-09-23 US disclosed
US-20090233873-A1 NITRIC OXIDE DONORS UNIVERSITY OF OTAGO (NZ) 2009-09-17 US disclosed
US-20090233873-A1 NITRIC OXIDE DONORS UNIVERSITY OF OTAGO (NZ) 2009-09-17 US disclosed
WO-2008039085-A1 TRIPHENYLPHOSPHONIUM THIONITRITE NITRIC OXIDE DONORS UNIVERSITY OF OTAGO (NZ) 2008-04-03 WO disclosed
US-4226878-A ANTIINFLAMMATORY, HYPOTENSIVES, ANTIHISTAMINES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1980-10-07 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 (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-20150250804-A1 Nitric Oxide Donors SQOR, ARG2, TXNRD2 TSHR 4202/4885ALDH1A1 1246/4885TRPA1 1488/4885
US-20090233873-A1 NITRIC OXIDE DONORS SQOR, ARG2, TXNRD2 TSHR 4202/4885ALDH1A1 1246/4885TRPA1 1488/4885
US-20100240615-A1 NITRIC OXIDE DONORS SQOR, ARG2, TXNRD2 TSHR 4202/4885ALDH1A1 1246/4885TRPA1 1488/4885
US-20170182170-A1 Nitric Oxide Donors SQOR, ARG2, TXNRD2 TSHR 4202/4885ALDH1A1 1246/4885TRPA1 1488/4885

“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.