SCHEMBL6527016

SCHEMBL6527016

CCCCOC(=O)C1CC=CCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.37
MAPK1 P28482 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.35
ESR1 P03372 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR1H2 P55055 1/20 0.34
RNASEL Q05823 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL5699527 0.83 ALDH1A1 (0.37) ALDH1A1KDM4ETSHRHSD17B10POLB
SCHEMBL5699504 0.83 ALDH1A1 (0.37) ALDH1A1KDM4ETSHRHSD17B10POLB
SCHEMBL3043061 0.78 ALDH1A1 (0.48) ALDH1A1ATMMAPK1L3MBTL1KDM4E
SCHEMBL338399 0.78 ALDH1A1 (0.48) ALDH1A1ATMMAPK1L3MBTL1KDM4E
SCHEMBL28404131 0.76 ALDH1A1 (0.47) ALDH1A1ATMMAPK1L3MBTL1TSHR
SCHEMBL28412717 0.76 ALDH1A1 (0.47) ALDH1A1ATMMAPK1L3MBTL1TSHR
SCHEMBL1169314 0.76 ALDH1A1 (0.47) ALDH1A1ATMMAPK1L3MBTL1TSHR
Ethylene SCHEMBL15653960 0.75 ALDH1A1 (0.45) ALDH1A1ATMMAPK1L3MBTL1KDM4E
SCHEMBL1829443 0.73 TSHR (0.40) ALDH1A1MAPK1L3MBTL1TSHRHSD17B10
SCHEMBL17581863 0.73 ALDH1A1 (0.47) ALDH1A1ATMMAPK1L3MBTL1KDM4E

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-6884897-B2 Preparation of 3,6-dihydro-2H-pyran-2-carboxylic esters BAYER AKTIENGESELLSCHAFT (DE) 2005-04-26 US disclosed
US-20030158430-A1 Preparation of 3,6-dihydro-2H-pyran-2-carboxylic esters LANXESS DEUTSCHLAND GMBH (DE) 2003-08-21 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-20030158430-A1 Preparation of 3,6-dihydro-2H-pyran-2-carboxylic esters GRHPR, GLO1, HPD ALDH1A1 339/4885ATM 4865/4885MAPK1 3414/4885

“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.