SCHEMBL3264094

SCHEMBL3264094

CCCCCOC(=O)c1cccc(-c2ccccc2)c1C(=O)OCCCCC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.66
MAPK1 P28482 3/20 0.66
CYP3A4 P08684 2/20 0.66
TP53 P04637 1/20 0.66
ALDH1A1 P00352 7/20 0.64
LMNA P02545 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
SCN1A P35498 2/20 0.57
SCN2A Q99250 2/20 0.57
SCN3A Q9NY46 2/20 0.57
KDM4E B2RXH2 3/20 0.57
HSD17B10 Q99714 2/20 0.57
POLB P06746 1/20 0.57
CNR2 P34972 1/20 0.52
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EGFR P00533 1/20 0.46
PTPN11 Q06124 2/20 0.46
MMP1 P03956 1/20 0.46

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
SCHEMBL6399743 0.99 ALDH1A1 (0.67) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL28029433 0.99 ALDH1A1 (0.67) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL27364778 0.96 TSHR (0.65) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL6399746 0.92 ALDH1A1 (0.65) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL28161619 0.91 TSHR (0.58) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL28754871 0.90 ALDH1A1 (0.63) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL9587930 0.90 ALDH1A1 (0.73) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL5893357 0.89 TSHR (0.73) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL5975125 0.87 ALDH1A1 (0.74) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL5975366 0.87 ALDH1A1 (0.74) TSHRMAPK1CYP3A4TP53ALDH1A1

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-20100041860-A1 POLYIMIDE, DIAMINE COMPOUND AND METHOD FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2010-02-18 US claimed
US-20100041860-A1 POLYIMIDE, DIAMINE COMPOUND AND METHOD FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2010-02-18 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-20100041860-A1 POLYIMIDE, DIAMINE COMPOUND AND METHOD FOR PRODUCING THE SAME DDC, AOC1, DDT TSHR 3127/4885MAPK1 1309/4885CYP3A4 2374/4885

“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.