SCHEMBL13403675

SCHEMBL13403675

CCC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.74
▸ ALDH1A1 P00352 10/20 0.56
▸ USP2 O75604 8/20 0.56
▸ MEN1 O00255 8/20 0.56
▸ KMT2A Q03164 8/20 0.56
▸ MAPT P10636 6/20 0.56
▸ GAA P10253 5/20 0.56
▸ LMNA P02545 5/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ RECQL P46063 3/20 0.56
▸ TLR9 Q9NR96 1/20 0.56
▸ CASP1 P29466 5/20 0.51
▸ CASP7 P55210 5/20 0.51
▸ ALOX15 P16050 5/20 0.51
▸ HSD17B10 Q99714 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ BRCA1 P38398 2/20 0.51
▸ HBB P68871 2/20 0.51

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
SCHEMBL2843124 0.87 SLC16A3 (0.80) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL29413851 0.87 SLC16A3 (0.80) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL12511762 0.87 SLC16A3 (0.83) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL29364862 0.85 SLC16A3 (1.00) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL45609 0.85 SLC16A3 (1.00) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL16900679 0.85 SLC16A3 (0.70) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL194640 0.85 SLC16A3 (0.70) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL29370055 0.85 SLC16A3 (0.70) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL10082362 0.84 SLC16A3 (0.80) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL21620382 0.84 SLC16A3 (0.80) SLC16A3ALDH1A1USP2MEN1KMT2A

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-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 — — US disclosed
US-7695929-B2 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. (US) 2010-04-13 — — US disclosed
US-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. 2008-10-30 — — 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 (2 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-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits HRH4, CRBN, NCDN SLC16A3 4484/4885ALDH1A1 2096/4885USP2 2440/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 SLC16A3 2031/4885ALDH1A1 1582/4885USP2 1433/4885

“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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