SCHEMBL18172333

SCHEMBL18172333

CCC(=O)Nc1cc(C(=O)OC)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.47
ADORA3 P0DMS8 2/20 0.47
FABP1 P07148 1/20 0.47
P2RY14 Q15391 1/20 0.47
ADORA1 P30542 1/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.45
BLM P54132 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44

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
SCHEMBL357231 0.85 KDM4E (0.52) KDM4EALDH1A1MAPTADORA3FABP1
SCHEMBL22845009 0.82 KMT2A (0.61) KDM4EALDH1A1MAPTKMT2APOLB
SCHEMBL15943015 0.82 FABP1 (0.48) KDM4EALDH1A1MAPTFABP1P2RY14
SCHEMBL18172324 0.82 HSD17B10 (0.70) KDM4EALDH1A1MAPTFABP1P2RY14
SCHEMBL2716459 0.81 TDP1 (0.53) KDM4EALDH1A1MAPTFABP1P2RY14
SCHEMBL2718440 0.81 TDP1 (0.53) KDM4EALDH1A1MAPTFABP1P2RY14
SCHEMBL2716139 0.81 HSD17B10 (0.51) KDM4EALDH1A1MAPTFABP1P2RY14
SCHEMBL1495498 0.81 TDP1 (0.64) KDM4EALDH1A1MAPTKMT2APOLB
SCHEMBL2274663 0.80 TDP1 (0.51) KDM4EALDH1A1MAPTFABP1P2RY14
SCHEMBL16547253 0.80 FABP1 (0.46) KDM4EALDH1A1MAPTFABP1P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207449-B Tetrazole derivatives for the treatment of psychotic disorders 豪夫迈·罗氏有限公司 2020-11-10 CN disclosed
US-10577332-B2 Tetrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2020-03-03 US disclosed
US-20180297961-A1 TETRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-10-18 US disclosed
EP-3286182-A1 TETRAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS F. Hoffmann-La Roche AG (CH) 2018-02-28 EP disclosed
WO-2016169902-A1 TETRAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2016-10-27 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 (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-10577332-B2 Tetrazole derivatives MC2R, MC3R, GABRR3 KDM4E 3257/4885ALDH1A1 1477/4885MAPT 1597/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 KDM4E 3257/4885ALDH1A1 1477/4885MAPT 1597/4885

“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.