SCHEMBL2463835

SCHEMBL2463835

S=C(Oc1ccccc1)Oc1cccc2c1ccc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.44
KCNA3 P22001 1/20 0.41
HSD17B10 Q99714 5/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
PGR P06401 1/20 0.40
PTGS1 P23219 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
MMP2 P08253 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2468024 0.90 KCNA3 (0.49) KCNA3HSD17B10ALDH1A1GAAPGR
SCHEMBL28688861 0.81 ALDH1A1 (0.46) HPRT1KCNA3HSD17B10ALDH1A1GAA
SCHEMBL6160141 0.81 HSD17B10 (0.55) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL27807134 0.77 HSD17B10 (0.51) HPRT1HSD17B10ALDH1A1GAAPGR
SCHEMBL441525 0.76 HPRT1 (0.54) HPRT1KCNA3HSD17B10ALDH1A1GAA
SCHEMBL18817858 0.75 HSD17B10 (0.53) HPRT1HSD17B10ALDH1A1GAAPGR
SCHEMBL2463525 0.74 TDP1 (0.55) HSD17B10ALDH1A1MAPK1KMT2AMEN1
SCHEMBL6884394 0.74 ALDH1A1 (0.55) KCNA3HSD17B10ALDH1A1GAAPGR
SCHEMBL2395666 0.73 HSD17B10 (0.51) HPRT1HSD17B10ALDH1A1GAAPGR
SCHEMBL28679045 0.73 KMT2A (0.67) HSD17B10ALDH1A1GAAPGRPTGS1

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-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-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-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
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
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 HPRT1 2060/4885KCNA3 2313/4885HSD17B10 1393/4885

“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.