SCHEMBL16970586

SCHEMBL16970586

CCN(CCCC(=O)NCCCCC(C(=O)OCOC(C)=O)N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)c1cc(OC)c(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)cc1N(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.37
▸ P2RY6 Q15077 1/20 0.37
▸ ITPR1 Q14643 1/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ GBA1 P04062 2/20 0.35
▸ SLC6A4 P31645 5/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ FPR2 P25090 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

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
SCHEMBL16985194 0.95 HTR3A (0.37) HTR3AP2RY6ITPR1CA12CA1
SCHEMBL18892420 0.92 SLC6A4 (0.31) HTR3ASLC6A4
SCHEMBL16986035 0.89 HTR3A (0.39) HTR3AP2RY6ITPR1CA12CA1
SCHEMBL16970585 0.88 HTR3A (0.41) HTR3AP2RY6ITPR1CA12CA1
SCHEMBL18884169 0.87 SLC6A4 (0.31) HTR3ASLC6A4SLC6A2SLC6A3
SCHEMBL14013423 0.86 MEN1 (0.43) HTR3AP2RY6ITPR1CA12CA1
SCHEMBL14013342 0.85 HTR3A (0.44) HTR3AP2RY6ITPR1CA12CA1
Hydrochloric Acid SCHEMBL3997760 0.85 MEN1 (0.42) HTR3AP2RY6ITPR1CA12CA1
SCHEMBL29348181 0.85 ITPR1 (0.42) HTR3AP2RY6ITPR1CA12CA1
SCHEMBL14013355 0.85 HTR3A (0.44) HTR3AP2RY6ITPR1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253185-B2 Fluorogenic pH-sensitive dyes and their methods of use (II) Life Technologies Corporation (US) 2019-04-09 — — US disclosed
US-20170145214-A1 FLUOROGENIC PH-SENSITIVE DYES AND THEIR METHODS OF USE (II) Life Technologies Corporation 2017-05-25 — — US disclosed
US-20170145214-A1 FLUOROGENIC PH-SENSITIVE DYES AND THEIR METHODS OF USE (II) Life Technologies Corporation 2017-05-25 — — US disclosed
US-9599622-B2 Fluorogenic pH-sensitive dyes and their methods of use (II) Life Technologies Corporation (US) 2017-03-21 — — US disclosed
US-9599622-B2 Fluorogenic pH-sensitive dyes and their methods of use (II) Life Technologies Corporation (US) 2017-03-21 — — US disclosed
US-20150218379-A1 Fluorogenic pH-Sensitive Dyes and Their Methods of Use (II) Life Technologies Corporation 2015-08-06 — — US disclosed
US-20150218379-A1 Fluorogenic pH-Sensitive Dyes and Their Methods of Use (II) Life Technologies Corporation 2015-08-06 — — 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-10253185-B2 Fluorogenic pH-sensitive dyes and their methods of use (II) ALPG, XDH, ASAH2 HTR3A 1591/4885P2RY6 918/4885ITPR1 2647/4885

“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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