SCHEMBL9880971

SCHEMBL9880971

CCCC(CC(C)C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.43
SLC6A4 P31645 13/20 0.43
SLC6A3 Q01959 11/20 0.43
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNH2 Q12809 2/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
GRN P28799 1/20 0.36
SORT1 Q99523 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
SCHEMBL9883161 0.82 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL8277863 0.81 SLC6A3 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL22664586 0.78 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL11445586 0.77 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL2632704 0.75 AHR (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL6571270 0.75 UGT2B7 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL11484393 0.74 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL29294802 0.74 SLC6A3 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL12076553 0.73 LMNA (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL6950392 0.73 SLC6A3 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA

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-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 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-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 SLC6A2 1/4885SLC6A4 3/4885SLC6A3 15/4885

“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.