SCHEMBL7677984

SCHEMBL7677984

CCOC(=O)c1ccccc1CCCC(C)(C)N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 5/20 0.51
SCN1A P35498 2/20 0.43
SCN2A Q99250 2/20 0.43
SCN3A Q9NY46 2/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CDC25B P30305 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
Hydrochloric Acid SCHEMBL7749576 0.99 TSHR (0.53) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL21058240 0.92 TSHR (0.57) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL28280204 0.82 TSHR (0.61) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL1791133 0.82 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL7677424 0.81 FOLH1 (0.53) TSHRALDH1A1ALOX15LMNA
SCHEMBL7782804 0.81 TSHR (0.62) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL20730321 0.81 TSHR (0.62) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL9305075 0.80 TSHR (0.61) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL11590516 0.80 TSHR (0.61) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL11637746 0.80 TSHR (0.61) TSHRALDH1A1HSD17B10SCN1ASCN2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020052509-A1 Calcilytic compounds and method of use SMITHKLINE BEECHAM CORPORATION 2002-05-02 US disclosed
EP-1069901-A4 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORP (US) 2001-06-13 EP disclosed
EP-1069901-A1 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP disclosed
WO-1999051241-A1 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 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-20020052509-A1 Calcilytic compounds and method of use SOST, CALCR, PTH1R TSHR 2553/4885ALDH1A1 3299/4885HSD17B10 2746/4885

“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.