SCHEMBL16267753

SCHEMBL16267753

CC(C)CC(O)c1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
AOC3 Q16853 1/20 0.37
ANPEP P15144 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 2/20 0.36
NFKB1 P19838 2/20 0.36
HIF1A Q16665 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
PNMT P11086 1/20 0.35
BLM P54132 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL21030287 0.82 GRN (0.33) ADRB2ADRB1CYP2D6NFKB1CYP1A2
SCHEMBL2422707 0.78 LMNA (0.46) ADRB2ADRB1SLC18A3SIGMAR1AOC3
SCHEMBL16268264 0.78 ADRB2 (0.61) ADRB2ADRB1AOC3ANPEPCYP2D6
SCHEMBL2422450 0.76 MET (0.39)
SCHEMBL7468788 0.76 SLC18A3 (0.41) ADRB2ADRB1SLC18A3SIGMAR1AOC3
SCHEMBL7464118 0.76 SLC18A3 (0.41) ADRB2ADRB1SLC18A3SIGMAR1AOC3
SCHEMBL18568085 0.75 TAS1R3 (0.39) ADRB2ADRB1SLC18A3SIGMAR1AOC3
SCHEMBL23212908 0.75 CYP1A2 (0.41) ADRB2ADRB1MEN1KMT2ACYP2D6
SCHEMBL28820045 0.75 CYP1A2 (0.41) ADRB2ADRB1MEN1KMT2ACYP2D6
SCHEMBL2292937 0.75 CYP1A2 (0.41) ADRB2ADRB1MEN1KMT2ACYP2D6

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-20160101188-A1 NOVEL NANOCARRIER DELIVERED CANCER CHEMOTHERAPEUTIC AGENTS UNIV CINCINNATI (US) 2016-04-14 US disclosed
WO-2014194250-A2 NOVEL NANOCARRIER DELIVERED CANCER CHEMOTHERAPEUTIC AGENTS UNIVERSITY OF CINCINNATI (US) 2014-12-04 WO 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-20160101188-A1 NOVEL NANOCARRIER DELIVERED CANCER CHEMOTHERAPEUTIC AGENTS DCTD, TYMS, CDA ADRB2 2169/4885ADRB1 1363/4885SLC18A3 783/4885

“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.