Propene

Propene

SCHEMBL4084262

C=CC.CCCCCN1CCNC(=O)C1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 15/20 0.47
GNAI3 P08754 3/20 0.38
GNAO1 P09471 3/20 0.38
GNAI1 P63096 3/20 0.38
ALOX5 P09917 2/20 0.38

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
SCHEMBL974631 0.92 THRB (0.51) THRBGNAI3GNAO1GNAI1ALOX5
SCHEMBL18634073 0.91 THRB (0.53) THRBGNAI3GNAO1GNAI1ALOX5
SCHEMBL9029619 0.87 THRB (0.49) THRB
Hydrochloric Acid SCHEMBL9029064 0.85 THRB (0.48) THRBGNAI3GNAO1GNAI1
SCHEMBL257071 0.80 THRB (0.45) THRB
Propene SCHEMBL28189504 0.79 GNAO1 (0.53) GNAI3GNAO1GNAI1
SCHEMBL5704250 0.78 THRB (0.42) THRBALOX5
SCHEMBL13178226 0.78 ALOX5 (0.45) THRBGNAI3GNAO1GNAI1ALOX5
SCHEMBL8029443 0.75 ALOX5 (0.41) THRBGNAI3GNAO1GNAI1ALOX5
SCHEMBL4490796 0.75 SMN1; SMN2 (0.39) THRB

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-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 US disclosed
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 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-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors DHPS, DUT, CDKN1A THRB 3480/4885GNAI3 2182/4885GNAO1 2521/4885

“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.