SCHEMBL3362323

SCHEMBL3362323

CC(C)C1=CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.50
SLC6A4 P31645 10/20 0.50
SLC6A3 Q01959 10/20 0.50
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 2/20 0.47
CYP2D6 P10635 2/20 0.47
MTOR P42345 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL20436752 0.80 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL5886643 0.80 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL7931286 0.80 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5369344 0.78 MEN1 (0.53) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL3363433 0.78 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL3363442 0.78 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL7741971 0.78 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL6555755 0.77 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL7737735 0.76 RORC (0.39) SLC6A2SLC6A4SLC6A3TP53NPC1
SCHEMBL3362841 0.76 RORC (0.39) SLC6A2SLC6A4SLC6A3TP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A SLC6A2 71/4885SLC6A4 34/4885SLC6A3 226/4885

“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.