SCHEMBL5377207

SCHEMBL5377207

CCC(C)c1cc(N)ccc1CCc1ccc(N)cc1C(C)CC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
GAA P10253 4/20 0.37
ALDH1A1 P00352 3/20 0.37
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RORC P51449 1/20 0.36
PRKCI P41743 1/20 0.34
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL842248 0.89 GAA (0.44) TSHRGAAALDH1A1USP2PKM
SCHEMBL5847934 0.82 GAA (0.39) TSHRGAAALDH1A1HSD17B10MAPT
SCHEMBL5388127 0.80 TSHR (0.41) TSHRGAAALDH1A1USP2PKM
SCHEMBL249358 0.80 ALDH1A1 (0.43) TSHRGAAALDH1A1USP2PKM
SCHEMBL5382824 0.78 RORC (0.58) TSHRGAAALDH1A1USP2PKM
SCHEMBL12444685 0.78 ALDH1A1 (0.46) TSHRGAAALDH1A1USP2PKM
SCHEMBL10685629 0.77 GAA (0.36) TSHRGAAALDH1A1USP2PKM
SCHEMBL21706818 0.77 GAA (0.36) TSHRGAAALDH1A1USP2MAPT
SCHEMBL1772000 0.76 GAA (0.43) TSHRGAAALDH1A1USP2PKM
SCHEMBL15099560 0.75 HTR2A (0.41) TSHRGAAALDH1A1MAPTMAPK1

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-7202359-B2 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2007-04-10 US disclosed
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2005-04-21 US disclosed
US-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-08 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 (2 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-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 TSHR 4548/4885GAA 1145/4885ALDH1A1 81/4885
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 TSHR 4491/4885GAA 1031/4885ALDH1A1 116/4885

“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.