SCHEMBL657877

SCHEMBL657877

CCc1ccc(C(=O)CC(c2ccc(Cl)cc2)C(COC(C)=O)(C(=O)O)C(=O)OCOC(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 3/20 0.38
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
AGTR1 P30556 1/20 0.33
FFAR1 O14842 1/20 0.33
OPRK1 P41145 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
DRD3 P35462 1/20 0.32
HSP90AA1 P07900 1/20 0.32
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL658601 0.90 PDPK1 (0.41) CYP2C9CYP2C19L3MBTL1POLBKMT2A
SCHEMBL658185 0.89 L3MBTL1 (0.39) CYP2C9CYP2C19L3MBTL1POLBKMT2A
SCHEMBL656175 0.89 KMT2A (0.47) CYP2C9CYP2C19L3MBTL1POLBKMT2A
SCHEMBL658836 0.88 UTS2R (0.39) CYP2C9CYP2C19L3MBTL1POLBKMT2A
SCHEMBL657804 0.80 SRD5A2 (0.38) L3MBTL1POLBKMT2AALDH1A1NPC1
SCHEMBL657352 0.78 PDPK1 (0.47) CYP2C9CYP2C19KMT2AMAPTALDH1A1
SCHEMBL657876 0.76 CYP2C9 (0.56) CYP2C9CYP2C19L3MBTL1POLBKMT2A
SCHEMBL657976 0.75 PDPK1 (0.49) CYP2C9L3MBTL1KMT2AGAAPDPK1
SCHEMBL656363 0.74 ALDH1A1 (0.45) CYP2C19L3MBTL1ALDH1A1GAAFFAR1
SCHEMBL10252973 0.74 CYP2C9 (0.53) CYP2C9CYP2C19L3MBTL1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB CYP2C9 4696/4885CYP2C19 4532/4885L3MBTL1 3302/4885

“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.