SCHEMBL7129002

SCHEMBL7129002

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.37
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL1396261 0.77
SCHEMBL9851391 0.76 LMNA (0.47) CYP2C19LMNACYP1A2CYP3A4CYP2C9
SCHEMBL9193184 0.75 TSHR (0.50) TSHRCYP2C19LMNACYP1A2CYP3A4
Water SCHEMBL9104285 0.75
SCHEMBL7525822 0.74 CETP (0.42) TSHR
SCHEMBL7525824 0.74 CETP (0.42) TSHR
SCHEMBL343001 0.72 CYP2C19 (0.50) TSHRCYP2C19LMNACYP1A2CYP3A4
SCHEMBL10461599 0.72 CYP2C19 (0.44) TSHRCYP2C19LMNACYP1A2CYP3A4
Chloroform SCHEMBL5139664 0.72 TSHR (0.48) TSHRCYP2C19LMNACYP1A2CYP3A4
SCHEMBL4889283 0.72 TSHR (0.36) TSHR

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 TSHR 1088/4885CYP2C19 1914/4885LMNA 2235/4885

“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.