SCHEMBL22553032

SCHEMBL22553032

O=C(O)c1ccc(C2CCC2c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
TP53 P04637 1/20 0.57
SRD5A2 P31213 4/20 0.50
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA3 P07451 1/20 0.48
TYR P14679 1/20 0.48
DRD1 P21728 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
TPMT P51580 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL22570608 1.00 TSHR (0.57) TSHRTP53SRD5A2CA1CA2
SCHEMBL22570518 1.00 TSHR (0.57) TSHRTP53SRD5A2CA1CA2
SCHEMBL22570607 1.00 TSHR (0.57) TSHRTP53SRD5A2CA1CA2
SCHEMBL22570613 1.00 TSHR (0.57) TSHRTP53SRD5A2CA1CA2
SCHEMBL901207 0.81 TSHR (0.57) TSHRTP53SRD5A2CA1CA2
SCHEMBL901209 0.81 TSHR (0.57) TSHRTP53SRD5A2CA1CA2
SCHEMBL2321634 0.81 TSHR (0.57) TSHRTP53SRD5A2CA1CA2
SCHEMBL20656934 0.80 MAOA (0.60)
SCHEMBL20897633 0.80 TSHR (0.52) TSHRTP53SRD5A2ALDH1A1SMN1; SMN2
SCHEMBL20897834 0.80 TSHR (0.52) TSHRTP53SRD5A2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961178-B2 Cycloaddition reactions using quantum dots NORTHWESTERN UNIVERSITY (US) 2021-03-30 US disclosed
US-20200331836-A1 CYCLOADDITION REACTIONS USING QUANTUM DOTS NORTHWESTERN UNIVERSITY 2020-10-22 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-20200331836-A1 CYCLOADDITION REACTIONS USING QUANTUM DOTS SYNGR2, SYNJ1, SQLE TSHR 3658/4885TP53 3389/4885SRD5A2 3287/4885
US-10961178-B2 Cycloaddition reactions using quantum dots SYNGR2, SYNJ1, SQLE TSHR 3658/4885TP53 3389/4885SRD5A2 3287/4885

“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.