SCHEMBL11325231

SCHEMBL11325231

CC(C)(C)OC(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
AOC3 Q16853 1/20 0.38
RCE1 Q9Y256 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
SLC6A2 P23975 1/20 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
SCHEMBL15996970 0.81 ADRA2A (0.55) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4846877 0.80 ALDH1A1 (0.50) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16000086 0.78 SLC6A4 (0.46) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL23032124 0.78 HTT (0.41) SLC6A4CYP1A2ADRA2AADRA2BKDM4E
SCHEMBL16811773 0.77 ALDH1A1 (0.47) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19655913 0.77 IDO1 (0.58) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16002952 0.77 SLC6A4 (0.49) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19984489 0.75 SLC6A4 (0.44) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21738850 0.75 ALDH1A1 (0.44) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8639528 0.74 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E

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-4252884-A DIAZONIUM SALT, BLOCKED PHENOLIC COUPLER JAMES RIVER GRAPHICS, INC. (US) 1981-02-24 US claimed
US-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-03-16 US disclosed
US-4252884-A DIAZONIUM SALT, BLOCKED PHENOLIC COUPLER JAMES RIVER GRAPHICS, INC. (US) 1981-02-24 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-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP SLC6A4 1555/4885ALDH1A1 1285/4885CYP1A2 1089/4885

“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.