SCHEMBL2218645

SCHEMBL2218645

Nc1ccc(Cl)cc1C#CCCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
FFAR1 O14842 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.37
OXER1 Q8TDS5 2/20 0.37
POLB P06746 1/20 0.37
KMO O15229 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3528298 0.84 MAPT (0.47) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL3527495 0.80 MAPT (0.46) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL2216712 0.80 KDM4E (0.42) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL3527600 0.78 MAPT (0.43) KDM4ECYP1A2CYP3A4MAPTCYP2C19
SCHEMBL2215302 0.76 KDM4E (0.41) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL3533615 0.73 TRPM8 (0.36) ALDH1A1KDM4EMAPTFFAR1POLB
SCHEMBL28967097 0.72 SMN1; SMN2 (0.56) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL3527628 0.70 KDM4E (0.44) ALDH1A1KDM4EFFAR1PTGDR2KMO
SCHEMBL30076472 0.69 FFAR1 (0.52) MAPTFFAR1
SCHEMBL4878167 0.68 MAPT (0.53) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9

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-8575210-B2 Use of indole derivatives as NURR-1 activators for treating parkinson's disease LABORATOIRES FOURNIER SA (FR) 2013-11-05 US disclosed
US-20110178150-A1 Use of Indole Derivatives as NURR-1 Activators for Treating Parkinson's Disease LABORATORIES FOURNIER S.A. (FR) 2011-07-21 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-20110178150-A1 Use of Indole Derivatives as NURR-1 Activators for Treating Parkinson's Disease NCOR1, NR0B1, NCOR2 ALDH1A1 1383/4885KDM4E 1496/4885CYP1A2 2413/4885

“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.