SCHEMBL440309

SCHEMBL440309

CC1(Oc2ccccc2)OCCO1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.37
HTR1A P08908 2/20 0.35
TSHR P16473 3/20 0.35
LTA4H P09960 2/20 0.35
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DRD2 P14416 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ADRA1D P25100 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL29839565 0.77 POLB (0.37) CA4TSHRLTA4HCYP1A2GAA
SCHEMBL6321287 0.76 POLB (0.39) CA4HTR1ATSHRLTA4HGAA
SCHEMBL338571 0.76 POLB (0.39) CA4HTR1ATSHRLTA4HGAA
SCHEMBL9586097 0.74 CA1 (0.50) CA4HTR1ATSHRDRD2L3MBTL1
SCHEMBL30877099 0.72 POLB (0.35) CA4TSHRLTA4HCYP1A2GAA
SCHEMBL12989493 0.71 POLB (0.34) CA4HTR1AGAANPSR1DRD2
SCHEMBL9569843 0.71 GAA (0.36) CA4HTR1ATSHRLTA4HGAA
SCHEMBL13897218 0.69 HTR1A (0.41) HTR1ALTA4HTDP1ADRA1DALDH1A1
SCHEMBL28534409 0.68 LTA4H (0.33) CA4TSHRLTA4HGAANPSR1
SCHEMBL6369878 0.67 HTR1A (0.31) HTR1APOLBADRA1D

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-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 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-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 CA4 1807/4885HTR1A 1936/4885TSHR 3944/4885

“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.