SCHEMBL19939675

SCHEMBL19939675

O=COc1ccc(/C(=C(\c2ccc(OC=O)cc2)c2ccc(C(=O)O)cc2)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 4/20 0.47
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
KMT2A Q03164 1/20 0.46
SRD5A2 P31213 3/20 0.44
PKM P14618 1/20 0.44
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
TYR P14679 1/20 0.41
DRD1 P21728 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL18504196 1.00 CA1 (0.50) CA1CA2TSHRTP53ALDH1A1
SCHEMBL18504197 0.94 HSD17B10 (0.51) CA1CA2TSHRTP53ALDH1A1
SCHEMBL15187895 0.94 TSHR (0.50) CA1CA2TSHRTP53ALDH1A1
SCHEMBL80558 0.94 TSHR (0.50) CA1CA2TSHRTP53ALDH1A1
SCHEMBL18504198 0.94 HSD17B10 (0.51) CA1CA2TSHRTP53ALDH1A1
SCHEMBL6054668 0.94 CA1 (0.56) CA1CA2TSHRTP53ALDH1A1
SCHEMBL27438635 0.91 BCL2L1 (0.52) CA1CA2TSHRTP53ALDH1A1
SCHEMBL27851888 0.90 CA1 (0.52) CA1CA2TSHRTP53ALDH1A1
SCHEMBL17718221 0.88 SRD5A2 (0.60) CA1CA2TSHRTP53ALDH1A1
SCHEMBL12535967 0.88 PARP10 (0.60) CA1CA2TSHRTP53ALDH1A1

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-20180067087-A1 AMINE COMPOUND DETECTION MARKER TOSHIBA TEC KABUSHIKI KAISHA (JP) 2018-03-08 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-20180067087-A1 AMINE COMPOUND DETECTION MARKER HRH3, PHOSPHO1, HNMT CA1 1627/4885CA2 2723/4885TSHR 3107/4885

“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.