SCHEMBL23918394

SCHEMBL23918394

CCOC(=O)C1=C(O)C(=O)N(C2COC2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP3 P42574 7/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MAPK1 P28482 1/20 0.36
CCR1 P32246 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL24379691 0.89 ALDH1A1 (0.40) ALDH1A1TSHRMEN1KMT2ACYP1A2
SCHEMBL23918753 0.89 ALDH1A1 (0.40) ALDH1A1TSHRMEN1KMT2ACYP1A2
SCHEMBL24379693 0.87 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2ACYP1A2
SCHEMBL23918388 0.84 ALDH1A1 (0.53) ALDH1A1TSHRKMT2ACASP3AKR1C3
SCHEMBL23918766 0.84 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2ACYP1A2
SCHEMBL23918399 0.81 SMN1; SMN2 (0.41) ALDH1A1TSHRMEN1KMT2ACYP1A2
SCHEMBL29428234 0.78 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ACYP1A2
SCHEMBL24379692 0.76 ADORA1 (0.40) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL23910261 0.75 KDM4E (0.44) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL29428200 0.74 ALDH1A1 (0.48) ALDH1A1TSHRMEN1KMT2ACYP1A2

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-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2022-05-03 US disclosed
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-10-14 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-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors P2RX3, P2RX1, P2RX5 ALDH1A1 1120/4885TSHR 2897/4885MEN1 2887/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 ALDH1A1 1149/4885TSHR 3113/4885MEN1 3591/4885

“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.