SCHEMBL3097256

SCHEMBL3097256

CCO[C@@H](O)CC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
NPC1 O15118 3/20 0.60
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.49
POLB P06746 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
CES1 P23141 1/20 0.45
ATM Q13315 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
SCHEMBL9155651 0.84 KMT2A (0.62) KMT2AMEN1NPC1TSHRL3MBTL1
SCHEMBL10071740 0.79 KMT2A (0.57) KMT2AMEN1NPC1TSHRL3MBTL1
SCHEMBL8150992 0.79 KMT2A (0.55) KMT2AMEN1NPC1TSHRL3MBTL1
SCHEMBL5551892 0.78 KMT2A (0.69) KMT2AMEN1NPC1TSHRL3MBTL1
SCHEMBL11706681 0.78 KMT2A (0.55) KMT2AMEN1NPC1TSHRL3MBTL1
SCHEMBL6932566 0.77 KMT2A (0.73) KMT2AMEN1NPC1TSHRL3MBTL1
SCHEMBL7629504 0.77 KMT2A (0.73) KMT2AMEN1NPC1TSHRL3MBTL1
SCHEMBL5100197 0.77 KMT2A (0.73) KMT2AMEN1NPC1TSHRL3MBTL1
Benzoic Acid SCHEMBL27852758 0.77 DAO (0.48) KMT2AMEN1NPC1TSHRL3MBTL1
SCHEMBL21908588 0.76 TSHR (0.45) NPC1TSHRL3MBTL1POLBALDH1A1

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-8629268-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-01-14 US disclosed
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-02-21 US disclosed
US-8227645-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-07-24 US disclosed
US-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-09-09 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-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND DHPS, GGPS1, COASY KMT2A 2281/4885MEN1 458/4885NPC1 2182/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 KMT2A 1729/4885MEN1 541/4885NPC1 3382/4885

“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.