SCHEMBL18856646

SCHEMBL18856646

Cc1cc(Cl)cc(Cl)c1-c1ccc(C(C)(C)C)o1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 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
SCHEMBL18856572 0.77 ESR1 (0.43) MEN1KMT2AMAPTHTT
SCHEMBL799603 0.75 MAPT (0.46) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL799579 0.71 HPGD (0.49) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL799954 0.69 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL10078955 0.69 AHR (0.45) AHRSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9980406 0.68 SOS1 (0.54) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL13167790 0.64 RAPGEF4 (0.41) AHRRAPGEF4HTT
SCHEMBL14112775 0.64 PDE4A (0.51) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL47577 0.63 MITF (0.36) MEN1KMT2A
SCHEMBL13949442 0.63

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 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-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 AHR 1105/4885SMN1; SMN2 468/4885RAPGEF4 479/4885

“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.