SCHEMBL7530599

SCHEMBL7530599

CCCCCc1ccc2c(c1)CCC1C2CCC(CCC)C1F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STS P08842 11/20 0.43
HTR2A P28223 2/20 0.39
DRD2 P14416 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
HSD17B1 P14061 3/20 0.37

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
SCHEMBL5686342 0.74 DRD2 (0.46) STSDRD2
SCHEMBL5468373 0.71 SLC6A2 (0.48) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL3236376 0.67 HTR2A (0.46) STSHTR2ADRD2SLC6A2HTR2C
SCHEMBL11213212 0.66 S1PR3 (0.62) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL11210990 0.65 S1PR3 (0.64) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL12629837 0.64 HTR2A (0.47) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL11206938 0.64 S1PR3 (0.69) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL12629835 0.64 SPHK1 (0.47) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL12629840 0.64 SPHK1 (0.47) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL12629841 0.64 SPHK1 (0.47) HTR2ADRD2SLC6A2HTR2CSLC6A4

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-20020049348-A1 For use in nematic or cholesteric liquid-crystal mixtures which have positive dielectric anisotropy values; broad operating temperature range and low threshold voltage (for use in automobiles, portable devices-telephones, computers) MERCK PATENT GMBH 2002-04-25 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-20020049348-A1 For use in nematic or cholesteric liquid-crystal mixtures which have positive dielectric anisotropy values; broad operating temperature range and low threshold voltage (for use in automobiles, portable devices-telephones, computers) NCS1, HCN1, CACNA1I STS 4008/4885HTR2A 2137/4885DRD2 3102/4885

“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.