SCHEMBL12307300

SCHEMBL12307300

Cc1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.48
▸ ADORA1 P30542 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ABCB1 P08183 1/20 0.30

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
SCHEMBL24137892 0.99 PTGS1 (0.48) PTGS1ADORA1KDM4EMEN1USP2
SCHEMBL14865806 0.92 PTGS1 (0.44) PTGS1ADORA1
SCHEMBL14865834 0.91 PTGS1 (0.41) PTGS1ADORA1KDM4EMEN1USP2
SCHEMBL9915839 0.90 PTGS1 (0.41) PTGS1ADORA1KDM4EMEN1USP2
SCHEMBL13401328 0.88 PTGS1 (0.43) PTGS1ADORA1KDM4EMEN1USP2
SCHEMBL14865832 0.88 PTGS1 (0.47) PTGS1ADORA1KDM4EMEN1USP2
SCHEMBL12265730 0.88 PTGS1 (0.47) PTGS1ADORA1KDM4EMEN1USP2
SCHEMBL13977982 0.87 PTGS1 (0.45) PTGS1ADORA1KDM4EMEN1USP2
SCHEMBL12265260 0.87 PTGS1 (0.41) PTGS1ADORA1KMT2A
Hydrochloric Acid SCHEMBL29349584 0.87 PTGS1 (0.42) PTGS1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322107-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS CAYMAN CHEMICAL COMPANY, INCORPORATED 2015-11-12 — — US disclosed
US-20150323542-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-11-12 — — US disclosed
US-9120820-B2 Fluorescent molecular probes for use in assays that measure test compound competitive binding with SAM-utilizing proteins CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2015-09-01 — — US disclosed
US-20120295283-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-11-22 — — US disclosed
US-20110229980-A1 OLIGONUCLEOTIDE PROBE AND USE THEREOF NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2011-09-22 — — 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 (4 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-20150322107-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS SAMSN1, TIPARP, SPR PTGS1 4718/4885ADORA1 1863/4885KDM4E 4555/4885
US-20110229980-A1 OLIGONUCLEOTIDE PROBE AND USE THEREOF DCLRE1B, NSUN2, MTX2 PTGS1 4024/4885ADORA1 1026/4885KDM4E 3742/4885
US-20150323542-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS SAMSN1, TIPARP, SPR PTGS1 4718/4885ADORA1 1863/4885KDM4E 4555/4885
US-20120295283-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS SAMSN1, TIPARP, SPR PTGS1 4718/4885ADORA1 1863/4885KDM4E 4555/4885

“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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