SCHEMBL22373330

SCHEMBL22373330

CC(C)CCC(Cl)CC(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 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
SCHEMBL29655012 0.85 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL19200599 0.80 LMNA (0.43) LMNA
SCHEMBL14955836 0.79 TSHR (0.41) ALDH1A1TSHRMAPK1LMNA
SCHEMBL7863903 0.79
SCHEMBL7869452 0.75
SCHEMBL7875857 0.71
SCHEMBL22071627 0.71 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL7869441 0.71
SCHEMBL16469013 0.71
SCHEMBL83493 0.71

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-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-09 US disclosed
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2020-08-27 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-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds DHPS, CFTR, FDPS ALDH1A1 283/4885TSHR 3694/4885MAPK1 3831/4885
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 ALDH1A1 1603/4885TSHR 4513/4885MAPK1 614/4885

“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.