SCHEMBL17549489

SCHEMBL17549489

CC(C)c1cccc([C@H](C)C2CC2)c1OCOP(=O)(CCc1ccccc1)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.35
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 1/20 0.32
TSHR P16473 1/20 0.31
CETP P11597 3/20 0.31

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
SCHEMBL17549514 0.87 GLRA1 (0.39) GLRA1HTR2AHTR2CSLC6A4TSHR
SCHEMBL17537079 0.80 ALOX15 (0.36) TSHR
SCHEMBL28060091 0.79 GLRA1 (0.49) GLRA1HTR2AHTR2CSLC6A4LMNA
SCHEMBL28060108 0.79 GLRA1 (0.49) GLRA1HTR2AHTR2CSLC6A4LMNA
SCHEMBL17549494 0.78 ALOX15 (0.35) TSHR
SCHEMBL17549497 0.78 ALOX15 (0.35) TSHR
SCHEMBL17537080 0.78 ALOX15 (0.35) TSHR
SCHEMBL17537202 0.77 HTR1A (0.35) TSHR
SCHEMBL13849656 0.77 GLRA1 (0.46) GLRA1TSHRCETP
SCHEMBL17537158 0.76 ELANE (0.31) TSHR

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-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-03-03 US disclosed
US-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-03-03 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-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF CYP2D6, CYP2B6, CYP2A6 GLRA1 4066/4885HTR2A 2760/4885HTR2C 1665/4885

“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.