SCHEMBL835293

SCHEMBL835293

Fc1ccc2c(c1)c1c(n2Cl)CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
BCHE P06276 6/20 0.41
ACHE P22303 5/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TBXA2R P21731 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL834603 0.80 ALOX5 (0.42) ALOX5PTGS1PTGS2BCHEACHE
SCHEMBL13877233 0.80 ALOX5 (0.65) ALOX5PTGS1PTGS2BCHEHTR6
SCHEMBL13877230 0.76 BCHE (0.55) PTGS1PTGS2BCHEHTR6PTGDR2
SCHEMBL11755532 0.75 CA1 (0.62) HDAC1HDAC6HTR6ALDH1A1HSD17B10
SCHEMBL13877229 0.75 PTGDR2 (0.50) BCHEPTGDR2
Ammonia Solution, Strong SCHEMBL906134 0.70 HTR6 (0.51) BCHEHTR6HTTPTGDR2TBXA2R
SCHEMBL10128525 0.69 PTGDR2 (0.43) BCHEHTR6SMN1; SMN2PTGDR2
SCHEMBL7467529 0.69 HTR6 (0.47) BCHEHTR6PTGDR2TBXA2R
SCHEMBL12325728 0.68 BCHE (0.45) PTGS1PTGS2BCHEHDAC1HDAC6
SCHEMBL906133 0.68 PTGDR2 (0.41) ALOX5PTGS1PTGS2BCHEACHE

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-8143304-B2 (3-amino-1,2,3,4-tetrahydro-9 H-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2012-03-27 US disclosed
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-29 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 (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-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives PTGDR, PTGER1, PTGIR ALOX5 69/4885PTGS1 10/4885PTGS2 27/4885

“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.