SCHEMBL436778

SCHEMBL436778

NOc1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
TSHR P16473 3/20 0.60
TP53 P04637 1/20 0.60
PARP15 Q460N3 1/20 0.59
PARP10 Q53GL7 1/20 0.59
KMT2A Q03164 1/20 0.54
SRD5A2 P31213 3/20 0.52
PKM P14618 1/20 0.52
CA12 O43570 2/20 0.50
CA3 P07451 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50

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
Benzoic Acid SCHEMBL28996091 0.86 TSHR (0.64) CA1CA2TSHRTP53PARP15
SCHEMBL14453801 0.81 CA1 (0.56) CA1CA2TSHRTP53PARP15
Terephthalic Acid SCHEMBL9341327 0.81 TSHR (0.92) CA1CA2TSHRTP53SRD5A2
SCHEMBL17226019 0.80 PARP10 (0.70) CA1CA2TSHRPARP15PARP10
SCHEMBL6746609 0.79 TSHR (0.67) CA1CA2TSHRTP53PARP15
SCHEMBL22281 0.79 PARP10 (0.78) CA1CA2TSHRTP53PARP15
Terephthalic Acid SCHEMBL9861713 0.79 PARP10 (0.78) CA1CA2TSHRTP53PARP15
SCHEMBL5581520 0.79 PARP10 (0.78) CA1CA2TSHRTP53PARP15
SCHEMBL766069 0.79 PARP10 (0.78) CA1CA2TSHRTP53PARP15
Terephthalic Acid SCHEMBL11858116 0.78 TSHR (0.86) CA1CA2TSHRTP53SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117947-B2 Double-acylated GLP-1 derivatives NOVO NORDISK A/S (DK) 2021-09-14 US disclosed
EP-2595977-A1 PROCESS FOR PREPARING BENZOFURAN DERIVATIVES SUBSTITUTED AT POSITION 5 SANOFI (FR) 2013-05-29 EP disclosed
WO-2012010802-A1 PROCESS FOR PREPARING BENZOFURAN DERIVATIVES SUBSTITUTED AT POSITION 5 SANOFI (FR) 2012-01-26 WO disclosed
US-7888450-B2 Liquid crystal polymer and film thereof FUJIFILM CORPORATION (JP) 2011-02-15 US disclosed
US-20090240022-A1 LIQUID CRYSTAL POLYMER AND FILM THEREOF FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed
US-20090054629-A1 Inhibitors of Transthyretin Amyloid Fibril Formation THE SCRIPPS RESEARCH INSTITUTE (US) 2009-02-26 US disclosed
US-7312361-B2 Inhibitors of transthyretin amyloid fibril formation THE SCRIPPS RESEARCH INSTITUTE (US) 2007-12-25 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 (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-20090054629-A1 Inhibitors of Transthyretin Amyloid Fibril Formation TTR, TTPA, APOB CA1 4014/4885CA2 4583/4885TSHR 1585/4885
US-11117947-B2 Double-acylated GLP-1 derivatives GLP1R, SLC5A1, IAPP CA1 2572/4885CA2 1248/4885TSHR 936/4885

“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.