SCHEMBL6318913

SCHEMBL6318913

CCOC(=O)C1CNc2ccc(OC)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 3/20 0.42
HDAC8 Q9BY41 1/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL10148374 0.86 ALDH1A1 (0.42) ALDH1A1POLBKMT2AKDM4ENPC1
SCHEMBL8569044 0.84 KMT2A (0.45) ALDH1A1POLBKMT2AKDM4EMEN1
SCHEMBL8569048 0.84 KMT2A (0.45) ALDH1A1POLBKMT2AKDM4EMEN1
SCHEMBL31083645 0.84 ALDH1A1 (0.46) ALDH1A1TDP1KMT2AKDM4EMEN1
SCHEMBL8569043 0.84 KMT2A (0.45) ALDH1A1POLBKMT2AKDM4EMEN1
SCHEMBL9370726 0.81 ALDH1A1 (0.54) ALDH1A1POLBTDP1KMT2AKDM4E
SCHEMBL652636 0.81 HDAC8 (0.41) ALDH1A1KMT2AKDM4EMEN1GAA
SCHEMBL8567784 0.80 MTNR1A (0.49) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL8567787 0.80 MTNR1A (0.49) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL431522 0.80 MTNR1A (0.49) ALDH1A1KMT2AKDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO claimed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 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 (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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT ALDH1A1 433/4885POLB 944/4885TDP1 612/4885

“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.