SCHEMBL3558732

SCHEMBL3558732

CC(C)C(O)(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
CYP2D6 P10635 3/20 0.47
HIF1A Q16665 2/20 0.47
CYP2C9 P11712 2/20 0.47
MIF P14174 1/20 0.44
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
MAPT P10636 2/20 0.42
CYP2C19 P33261 1/20 0.42
PPARA Q07869 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 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
SCHEMBL22722998 1.00 KMT2A (0.50) KMT2AMEN1CYP2D6HIF1ACYP2C9
SCHEMBL22722989 1.00 KMT2A (0.50) KMT2AMEN1CYP2D6HIF1ACYP2C9
SCHEMBL22758130 0.83 MEN1 (0.49) KMT2AMEN1CYP2D6HIF1ACYP2C9
SCHEMBL6950057 0.82 CYP2D6 (0.57) KMT2ACYP2D6HIF1ACYP2C9CYP1A2
SCHEMBL28833142 0.81 CYP2D6 (0.43) KMT2AMEN1CYP2D6HIF1ACYP2C9
SCHEMBL28905915 0.79 CYP2C9 (0.58) CYP2D6HIF1ACYP2C9CYP1A2CYP3A4
SCHEMBL11168281 0.77 KMT2A (0.50) KMT2AMEN1CYP2D6HIF1ACYP2C9
SCHEMBL10607689 0.76 CYP2D6 (0.70) KMT2AMEN1CYP2D6HIF1ACYP2C9
SCHEMBL11090887 0.76 MEN1 (0.45) KMT2AMEN1CYP2D6HIF1ACYP2C9
SCHEMBL5307865 0.76 CYP2D6 (0.70) KMT2AMEN1CYP2D6HIF1ACYP2C9

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-109689667-B Porous chiral material and use thereof 南开大学 2022-07-12 CN disclosed
US-10857517-B2 Porous chiral materials and uses thereof NANKAI UNIVERSITY (CN) 2020-12-08 US disclosed
US-7727998-B2 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 US disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 EP 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-10857517-B2 Porous chiral materials and uses thereof ANXA7, XDH, OPRM1 KMT2A 3099/4885MEN1 412/4885CYP2D6 1864/4885
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR KMT2A 1378/4885MEN1 768/4885CYP2D6 1796/4885

“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.