SCHEMBL13033700

SCHEMBL13033700

CC1(c2ccc(C(=O)O)cc2)NN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
SRD5A2 P31213 4/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
TYR P14679 1/20 0.44
DRD1 P21728 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
RXRA P19793 2/20 0.44

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
SCHEMBL13033696 0.74 TSHR (0.52) TSHRTP53ALDH1A1SMN1; SMN2TDP1
SCHEMBL15956227 0.74 TP53 (0.52) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL28202337 0.73 TSHR (0.75) TSHRTP53ALDH1A1SMN1; SMN2TDP1
Terephthalic Acid SCHEMBL1403607 0.72 TSHR (0.86) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL11416580 0.72 TSHR (0.86) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL1403625 0.72 TSHR (0.86) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL5053781 0.72 TSHR (1.00) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL1655 0.72 TSHR (1.00) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL175823 0.72 TSHR (1.00) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL2511919 0.72 TSHR (1.00) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 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 (1 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-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS TSHR 4673/4885TP53 1173/4885ALDH1A1 4064/4885

“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.