SCHEMBL2492898

SCHEMBL2492898

CCCCCOC(=O)c1cccc2cc3ccccc3cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.68
MAPK1 P28482 3/20 0.68
CYP3A4 P08684 2/20 0.68
TP53 P04637 1/20 0.68
ALDH1A1 P00352 9/20 0.66
LMNA P02545 3/20 0.66
L3MBTL1 Q9Y468 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
KDM4E B2RXH2 6/20 0.58
HSD17B10 Q99714 2/20 0.58
POLB P06746 1/20 0.58
HRH3 Q9Y5N1 1/20 0.49
GAA P10253 1/20 0.49
KDM4A O75164 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
CNR2 P34972 3/20 0.48
CNR1 P21554 2/20 0.48
CYP2C9 P11712 1/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1164310 0.96 TSHR (0.67) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL18525768 0.90 TSHR (0.66) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL29113041 0.90 ALDH1A1 (0.65) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL27970683 0.89 TSHR (0.66) TSHRMAPK1CYP3A4TP53ALDH1A1
Anthracene SCHEMBL27541929 0.88 ALDH1A1 (0.84) TSHRMAPK1CYP3A4TP53ALDH1A1
Anthracene SCHEMBL27788031 0.87 ALDH1A1 (0.82) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL2117237 0.87 TSHR (0.73) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL27899881 0.86 ALDH1A1 (0.59) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL30295637 0.86 ALDH1A1 (0.74) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL20100237 0.86 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-8410303-B2 Direct conversion of phenols into amides and esters of benzoic acid The Florida State University Research Foundation, Inc. (US) 2013-04-02 US disclosed
US-20110237798-A1 DIRECT CONVERSION OF PHENOLS INTO AMIDES AND ESTERS OF BENZOIC ACID The Florida State University Research Foundation, Inc. (US) 2011-09-29 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-20110237798-A1 DIRECT CONVERSION OF PHENOLS INTO AMIDES AND ESTERS OF BENZOIC ACID DDC, NISCH, TST TSHR 1057/4885MAPK1 3452/4885CYP3A4 57/4885

“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.