SCHEMBL4474538

SCHEMBL4474538

CCCCOC(=O)c1coc(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.58
TSHR P16473 3/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 1/20 0.53
NR1H2 P55055 1/20 0.53
RNASEL Q05823 1/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
PDE4D Q08499 1/20 0.51
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL382018 0.84 CA12 (0.53) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL18165223 0.84 ESR1 (0.55) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL9513638 0.79 ESR1 (0.76) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL20016031 0.78 ESR1 (0.50) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL28629629 0.78 ESR1 (0.72) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL20250739 0.76 CNR1 (0.72) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL9496835 0.75 ESR1 (0.58) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL28250002 0.75 ESR1 (0.49) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL37476 0.75 ESR1 (0.85) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL2092901 0.75 ESR1 (0.50) ESR1TSHRLMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608727-B2 Process for the preparation of furan compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-27 US disclosed
EP-1826202-A1 Process for the preparation of furan compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-08-29 EP disclosed
US-20070197806-A1 Process for the preparation of furan compounds DAICEL CHEMICAL INDUSTRIES, LTD. 2007-08-23 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-20070197806-A1 Process for the preparation of furan compounds CBR1, CBR3, POR ESR1 266/4885TSHR 1636/4885LMNA 2563/4885

“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.