SCHEMBL7125796

SCHEMBL7125796

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.48
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL343001 0.74 CYP2C19 (0.50) CYP2C19LMNAALDH1A1TSHRCYP1A2
SCHEMBL4547683 0.74 TSHR (0.48) CYP2C19ALDH1A1TSHRCYP3A4
SCHEMBL4533496 0.74
SCHEMBL7532833 0.72 CETP (0.43) LMNAALDH1A1
SCHEMBL7522606 0.72 CETP (0.43) LMNAALDH1A1
SCHEMBL7522855 0.72 CETP (0.43) LMNAALDH1A1
SCHEMBL10026572 0.72 MEN1 (0.33) ALDH1A1TSHRCYP3A4
SCHEMBL106833 0.72 ALDH1A1 (0.38) LMNAALDH1A1TSHR
SCHEMBL6950911 0.71
SCHEMBL11130945 0.70 CYP2C19 (0.38) CYP2C19ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144541-A1 Process for preparing alpha-halogenated retones RHODIA CHIMIE (FR) 2003-07-31 US disclosed
EP-1250303-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2002-10-23 EP disclosed
WO-2001055067-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2001-08-02 WO 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-20030144541-A1 Process for preparing alpha-halogenated retones ADH1A, ADH1C, RER1 CYP2C19 1914/4885LMNA 2235/4885ALDH1A1 15/4885

“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.