SCHEMBL6782491

SCHEMBL6782491

COC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.57
▸ HSD17B10 Q99714 5/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ TSHR P16473 3/20 0.54
▸ RECQL P46063 1/20 0.54
▸ HCAR2 Q8TDS4 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ ALOX12 P18054 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LTB4R Q15722 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45

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
SCHEMBL6782484 1.00 KDM4E (0.57) KDM4EHSD17B10TDP1POLBTSHR
SCHEMBL6782488 1.00 KDM4E (0.57) KDM4EHSD17B10TDP1POLBTSHR
SCHEMBL6790198 0.87 HCAR2 (0.63) KDM4EHCAR2LTB4RKMT2A
SCHEMBL6790194 0.87 HCAR2 (0.63) KDM4EHCAR2LTB4RKMT2A
SCHEMBL6790187 0.87 HCAR2 (0.63) KDM4EHCAR2LTB4RKMT2A
SCHEMBL7583362 0.78 KDM4E (0.51) KDM4EHSD17B10TDP1POLBTSHR
SCHEMBL2950480 0.76 LTB4R (0.61) KDM4EHSD17B10RECQLALDH1A1HPGD
SCHEMBL19695945 0.74 LTB4R (0.56) KDM4EHSD17B10TDP1POLBTSHR
SCHEMBL15396459 0.74 LTB4R (0.47) HCAR2ALDH1A1SMN1; SMN2LTB4RHTT
SCHEMBL21446855 0.72 KDM4E (0.77) KDM4EHSD17B10TDP1POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727250-B2 ADMINISTERING COMPOUNDS SUCH AS TRANS-3-(NAPHTH-2-YL)-BUT-2-ENOIC ACID-N-(2-CARBOXY-PHENYL)-AMIDE OR LIKE FOR THERAPY OF CONDITIONS ASSOCIATED WITH INCREASED TELOMERASE ACTIVITY, E.G. TUMOUR DISEASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-04-27 — — US disclosed
US-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-07-25 — — US disclosed
US-6362210-B1 ANTITUMOR, ANTICANCER AGENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-26 — — 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-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation TERT, NAT1, POT1 KDM4E 1243/4885HSD17B10 1601/4885TDP1 84/4885

“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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