SCHEMBL7125044

SCHEMBL7125044

Oc1cc(C(O)C(Cl)(Cl)Cl)cc(O)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
SELL P14151 2/20 0.35
SELP P16109 2/20 0.35
SELE P16581 1/20 0.35
HKDC1 Q2TB90 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
HSD17B10 Q99714 3/20 0.31
LMNA P02545 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
TDP1 Q9NUW8 2/20 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
SCHEMBL7122077 0.82 ACHE (0.42) ESR1ESR2HSD17B10LMNAKDM4E
SCHEMBL7120855 0.78 BACE1 (0.40) ESR1ESR2ADRB2SMN1; SMN2HSD17B10
SCHEMBL7117823 0.76 GABRA1 (0.35) GABRA1GABRB2SELLSELPSELE
SCHEMBL23149890 0.74 CES2 (0.44)
SCHEMBL7120793 0.73 ABL1 (0.42) LMNAMAPTCYP2C9CA12CA1
SCHEMBL7131005 0.72 TUBB1 (0.50) KDM4EMAPTTDP1CYP3A4TSHR
SCHEMBL18558876 0.71 SELL (0.43) GABRA1GABRB2SELLSELPSELE
SCHEMBL3686130 0.70 HSD17B10 (0.45) ESR1ESR2SMN1; SMN2HSD17B10LMNA
SCHEMBL7127149 0.69 TUBB4A (0.55) ALDH1A1MAPTTDP1ALOX15ALOX12
SCHEMBL7120983 0.68 ESR1 (0.62) ESR1ESR2SMN1; SMN2HSD17B10LMNA

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 GABRA1 2747/4885GABRB2 3396/4885SELL 4263/4885

“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.