SCHEMBL2453547

SCHEMBL2453547

O=C(O)C1CCCCC1(O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.35
CYP2C19 P33261 4/20 0.35
LMNA P02545 3/20 0.35
CYP1A2 P05177 3/20 0.35
GRM2 Q14416 2/20 0.35
GRM3 Q14832 2/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GRM8 O00222 2/20 0.35
GRM6 O15303 2/20 0.35
GRM5 P41594 1/20 0.35
MTOR P42345 1/20 0.35
GRM1 Q13255 1/20 0.35
PLCB1 Q9NQ66 1/20 0.35
HSD11B1 P28845 2/20 0.34
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 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
SCHEMBL4565712 1.00 GRM4 (0.35) GRM4CYP2C19LMNACYP1A2GRM2
SCHEMBL4565617 1.00 GRM4 (0.35) GRM4CYP2C19LMNACYP1A2GRM2
SCHEMBL4565697 0.93 GRM4 (0.36) GRM4CYP2C19LMNACYP1A2GRM2
SCHEMBL4565810 0.93 GRM4 (0.36) GRM4CYP2C19LMNACYP1A2GRM2
SCHEMBL8409821 0.80 HDAC8 (0.36) HSD11B1
SCHEMBL14536263 0.77 HSD11B1 (0.36) GRM4CYP2C19LMNACYP1A2GRM2
SCHEMBL25218266 0.77 GRM4 (0.38) GRM4CYP2C19LMNACYP1A2GRM2
SCHEMBL6142784 0.76 LMNA (0.33) CYP2C19LMNATSHRHSD11B1
SCHEMBL7130222 0.76 LMNA (0.33) CYP2C19LMNATSHRHSD11B1
SCHEMBL2832691 0.76 LMNA (0.33) CYP2C19LMNATSHRHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017799-B2 Hexahydrophthalate based compound and process for producing the same NAN YA PLASTICS CORPORATION (TW) 2011-09-13 US claimed
US-20090281349-A1 Hexahydrophthalate based compound and process for producing the same NAN YA PLASTICS CORPORATION (TW) 2009-11-12 US claimed
US-8017799-B2 Hexahydrophthalate based compound and process for producing the same NAN YA PLASTICS CORPORATION (TW) 2011-09-13 US disclosed
US-8017799-B2 Hexahydrophthalate based compound and process for producing the same NAN YA PLASTICS CORPORATION (TW) 2011-09-13 US disclosed
US-20090281349-A1 Hexahydrophthalate based compound and process for producing the same NAN YA PLASTICS CORPORATION (TW) 2009-11-12 US disclosed
US-20090281349-A1 Hexahydrophthalate based compound and process for producing the same NAN YA PLASTICS CORPORATION (TW) 2009-11-12 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-20090281349-A1 Hexahydrophthalate based compound and process for producing the same RARA, DERA, ADH1A GRM4 2790/4885CYP2C19 1991/4885LMNA 2531/4885

“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.