SCHEMBL29326111

SCHEMBL29326111

Cc1cc(C)c(C(C)C)c2c1OCC2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL29326105 0.86 HTR2A (0.30) HTR2AHTR2CHTR2B
SCHEMBL29328234 0.84
SCHEMBL29326101 0.84 HTR2A (0.30) HTR2AHTR2CHTR2B
SCHEMBL15339521 0.80 MAOA (0.33) HTR2AHTR2CHTR2BMAOAMAOB
SCHEMBL29328231 0.74 HTR2A (0.32) HTR2AHTR2CHTR2B
SCHEMBL26835702 0.73 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL26355591 0.73 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL15339520 0.71 ACHE (0.31)
SCHEMBL8737441 0.70 MAOA (0.37) HTR2AHTR2CHTR2BMAOAMAOB
SCHEMBL8466373 0.70 HTR2C (0.39) HTR2AHTR2CHTR2BMAOAMAOB

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE HTR2A 2757/4885HTR2C 1491/4885HTR2B 2735/4885

“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.