SCHEMBL5653170

SCHEMBL5653170

Clc1c[c]c2[nH]ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.47
F7 P08709 1/20 0.47
LTA4H P09960 1/20 0.47
F3 P13726 1/20 0.47
NR4A2 P43354 1/20 0.47
CMA1 P23946 1/20 0.42
TNF P01375 1/20 0.35
RIPK1 Q13546 1/20 0.35
CSNK2A1 P68400 1/20 0.34
CHEK1 O14757 1/20 0.34
ESR1 P03372 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL5655406 0.77 AHR (0.45) AHRTNFRIPK1GPR84
SCHEMBL1436983 0.77 CYP1A2 (0.32)
SCHEMBL2304557 0.72 MEN1 (0.46) ESR1ALDH1A1
SCHEMBL28596282 0.64 AHR (0.50) AHRF7LTA4HF3NR4A2
SCHEMBL4465171 0.64 AHR (0.50) AHRF7LTA4HF3NR4A2
SCHEMBL14487617 0.64 PARP1 (0.32) CHEK1
SCHEMBL405311 0.64 AHR (1.00) AHRF7LTA4HF3NR4A2
SCHEMBL30587351 0.64 AHR (1.00) AHRF7LTA4HF3NR4A2
SCHEMBL20275 0.64
SCHEMBL21315701 0.62 AHR (0.48) AHRF7LTA4HF3NR4A2

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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 US disclosed
CN-101018552-A Intracellular receptor modulator compounds and methods LIGAND PHARM INC (US) 2007-08-15 CN 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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 AHR 1370/4885F7 4876/4885LTA4H 2714/4885

“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.