SCHEMBL514533

SCHEMBL514533

O=C(O)C1=C(C(=O)O)/C=C\C=C/C=C\1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
DAO P14920 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 1/20 0.32
SRD5A2 P31213 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
SCHEMBL514534 1.00 TSHR (0.35) TSHRTP53DAONAPRTALDH1A1
SCHEMBL31295488 0.81 TSHR (0.40) TSHRALDH1A1ALOX15
SCHEMBL27230432 0.79 ALDH1A1 (0.35) TSHRTP53DAOALDH1A1SRD5A2
SCHEMBL6285742 0.74
SCHEMBL27286767 0.70 PYGM (0.39)
SCHEMBL3412825 0.67 TP53 (0.30) TSHRTP53
SCHEMBL15330778 0.67 TP53 (0.30) TSHRTP53
Benzoic Acid SCHEMBL20185679 0.67
SCHEMBL27726148 0.67
SCHEMBL27209675 0.65 TSHR (0.33) TSHRTP53DAONAPRTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9849196-B2 Methods and compositions for altering photophysical properties of fluorophores via proximal quenching CORNELL UNIVERSITY (US) 2017-12-26 US disclosed
US-9631096-B2 Dye compositions, methods of preparation, conjugates thereof, and methods of use CORNELL UNIVERSITY (US) 2017-04-25 US disclosed
US-20150328340-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERTIES OF FLUOROPHORES VIA PROXIMAL QUENCHING CORNELL UNIVERSITY (US) 2015-11-19 US disclosed
US-8945515-B2 Methods and compositions for altering photophysical properties of fluorophores via proximal quenching CORNELL UNIVERSITY (US) 2015-02-03 US disclosed
US-20150011731-A1 DYE COMPOSITIONS, METHODS OF PREPARATION, CONJUGATES THEREOF, AND METHODS OF USE CORNELL UNIVERSITY (US) 2015-01-08 US disclosed
US-8445572-B2 Rubber composition THE YOKOHAMA RUBBER CO., LTD. (JP) 2013-05-21 US disclosed
CN-101755003-B Rubber composition YOKOHAMA RUBBER CO LTD 2013-03-06 CN disclosed
US-20120027689-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERITES OF FLUOROPHORES VIA PROXIMAL QUENCHING CORNELL UNIVERSITY (US) 2012-02-02 US disclosed
US-20100222478-A1 RUBBER COMPOSITION THE YOKOHAMA RUBBER CO., LTD (JP) 2010-09-02 US disclosed
WO-2010096720-A2 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERTIES OF FLUOROPHORES VIA PROXIMAL QUENCHING CORNELL UNIVERSITY (US) 2010-08-26 WO disclosed
CN-101755003-A Rubber composition YOKOHAMA RUBBER CO LTD 2010-06-23 CN 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 (2 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-20120027689-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERITES OF FLUOROPHORES VIA PROXIMAL QUENCHING APEX1, PPOX, PRDX5 TSHR 4483/4885TP53 367/4885DAO 1135/4885
US-20150328340-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERTIES OF FLUOROPHORES VIA PROXIMAL QUENCHING APEX1, ARFGEF1, PRDX3 TSHR 4051/4885TP53 210/4885DAO 1188/4885

“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.