SCHEMBL20906136

SCHEMBL20906136

CCOC(COc1ccc(C(=O)OC)cc1Br)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 2/20 0.45
NOTUM Q6P988 1/20 0.45
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 4/20 0.41
HTT P42858 1/20 0.41
CREBBP Q92793 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.40
KCNH2 Q12809 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
NR4A1 P22736 1/20 0.39

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
SCHEMBL25619995 0.90 NOTUM (0.42) MAPTALDH1A1KMT2ALMNANOTUM
SCHEMBL6601501 0.84 MAPT (0.59) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL7986353 0.84 SMN1; SMN2 (0.45) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL28341621 0.82 NOTUM (0.51) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL29830318 0.82 NOTUM (0.48) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL21437253 0.81 KMT2A (0.36) MAPTALDH1A1KMT2ALMNAMAPK1
SCHEMBL17386157 0.80 NOTUM (0.51) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6294921 0.79 THRA (0.51) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL10269561 0.78 THRA (0.56) MAPTALDH1A1KMT2AMEN1NOTUM
SCHEMBL15068012 0.77 CA12 (0.39) MAPTALDH1A1KMT2AMEN1LMNA

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
EP-3344604-B1 CARBOXY SUBSTITUTED (HETERO) AROMATIC RING DERIVATIVES AND PREPARATION METHOD AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2020-11-04 EP disclosed
CN-106478500-B Carboxylic acid substituted (hetero) aromatic ring derivatives, and preparation method and application thereof 广东东阳光药业有限公司 2020-02-11 CN disclosed
US-10266496-B2 Carboxy substituted (hetero) aromatic ring derivatives and preparation method and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-04-23 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-10266496-B2 Carboxy substituted (hetero) aromatic ring derivatives and preparation method and uses thereof XDH, ABCG2, SLC7A1 MAPT 3465/4885ALDH1A1 871/4885KMT2A 3821/4885

“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.