SCHEMBL26430546

SCHEMBL26430546

CCOC(=O)C1=CCC(C=O)OC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GLA P06280 1/20 0.33
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL17716858 0.80 KDM4E (0.38) TSHRMAPTLMNAALDH1A1GLA
SCHEMBL26430584 0.78 CYP1A2 (0.36) TSHRALDH1A1GLAKDM4ENPC1
SCHEMBL21987334 0.78 POLB (0.37) TSHRMAPTALDH1A1KDM4ENPC1
SCHEMBL26430544 0.78 CYP1A2 (0.36) TSHRALDH1A1GLAKDM4ENPC1
SCHEMBL26430583 0.78 CYP1A2 (0.36) TSHRALDH1A1GLAKDM4ENPC1
SCHEMBL21987481 0.78 CYP1A2 (0.36) TSHRMAPTALDH1A1KDM4ENPC1
Lithium Ion SCHEMBL20600273 0.75 CYP1A2 (0.34) TSHRALDH1A1GLAKDM4ENPC1
SCHEMBL16224777 0.75 HDAC4 (0.38) TSHRMAPTGLAKDM4ENPC1
SCHEMBL20625163 0.69 KMT2A (0.41) TSHRMAPTALDH1A1NPC1RAB9A
SCHEMBL20624779 0.69 KMT2A (0.41) TSHRMAPTALDH1A1NPC1RAB9A

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-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 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-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 TSHR 3525/4885MAPT 1799/4885LMNA 2714/4885

“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.