SCHEMBL2462819

SCHEMBL2462819

O=C(O)c1cc2c(-c3ccccc3)cccc2c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 1/20 0.55
▸ ACMSD Q8TDX5 2/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ PDE10A Q9Y233 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PTPN1 P18031 2/20 0.47
▸ DHODH Q02127 1/20 0.46
▸ HPGD P15428 2/20 0.46
▸ GPR35 Q9HC97 2/20 0.46
▸ FABP3 P05413 1/20 0.46
▸ FABP4 P15090 1/20 0.46
▸ FABP5 Q01469 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 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
SCHEMBL8890007 0.86 HNF4A (0.66) HNF4AACMSDMCL1KDM4ELMNA
SCHEMBL19999156 0.82 HPGD (0.57) KDM4ELMNASMN1; SMN2PDE10AMEN1
SCHEMBL17164118 0.80 NR4A1 (0.52) HNF4AACMSDMCL1KDM4ELMNA
SCHEMBL7407371 0.76 HNF4A (0.73) HNF4ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL10596069 0.75 GPR35 (0.59) KDM4ELMNASMN1; SMN2PDE10AMEN1
SCHEMBL6764706 0.75 DHODH (0.51) HNF4AACMSDMCL1KDM4ELMNA
SCHEMBL11364286 0.75 GPR35 (0.46) HNF4AKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL30080985 0.75 METAP2 (0.48) HNF4AKDM4EMEN1KMT2AHPGD
SCHEMBL28322994 0.75 METAP2 (0.48) HNF4AKDM4EMEN1KMT2AHPGD
SCHEMBL17177742 0.75 HSD17B10 (0.50) HNF4AACMSDMCL1KDM4ELMNA

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 HNF4A 882/4885ACMSD 17/4885MCL1 4171/4885

“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.

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