SCHEMBL25005231

SCHEMBL25005231

COc1ccccc1[C@H]1C[C@@H]1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.53
HTR2A P28223 2/20 0.53
HTR2B P41595 1/20 0.53
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL21169205 1.00 HTR2C (0.53) HTR2CHTR2AHTR2BCA12CA1
SCHEMBL30506638 0.84 HTR2C (0.46) HTR2CHTR2AHTR2BCA1CA2
SCHEMBL17847282 0.84 HTR2C (0.46) HTR2CHTR2AHTR2BCA1CA2
SCHEMBL23993009 0.80 PPARG (0.37) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL12875534 0.77 HTR2C (0.59) HTR2CHTR2AHTR2BCA12CA1
SCHEMBL31113521 0.76 KDM1A (0.62) HTR2CHTR2AHTR2BCA12CA1
SCHEMBL16591167 0.76 HTR2C (0.57) HTR2CHTR2AHTR2BCA12CA1
SCHEMBL7864304 0.76 KDM1A (0.62) HTR2CHTR2AHTR2BCA12CA1
SCHEMBL7092178 0.76 KDM1A (0.62) HTR2CHTR2AHTR2BCA12CA1
SCHEMBL28038759 0.76 HTR2C (0.57) HTR2CHTR2AHTR2BCA12CA1

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-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E HTR2C 1699/4885HTR2A 1593/4885HTR2B 2352/4885

“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.