SCHEMBL14013347

SCHEMBL14013347

CCN(CCCC(=O)NCCOCCOCCC(=O)O)c1cc(OC)c(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 3/20 0.46
▸ ADORA3 P0DMS8 1/20 0.43
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ P2RY6 Q15077 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ITPR1 Q14643 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ HTR3A P46098 1/20 0.39
▸ CHRM1 P11229 2/20 0.38
▸ GPR3 P46089 2/20 0.37
▸ MAP3K5 Q99683 1/20 0.36

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
SCHEMBL14163351 0.92 P2RY6 (0.46) GBA1ADORA3CA12CA1CA2
SCHEMBL14163205 0.90 P2RY6 (0.45) GBA1ADORA3CA12CA1CA2
SCHEMBL14013346 0.89 GBA1 (0.42) GBA1ADORA3CA12CA1CA2
SCHEMBL14013311 0.89 MEN1 (0.49) GBA1CA12CA1CA2CA9
SCHEMBL14013355 0.88 HTR3A (0.44) GBA1CA12CA1CA2CA9
SCHEMBL14013427 0.88 P2RY6 (0.45) GBA1ADORA3CA12CA1CA2
SCHEMBL14884079 0.86 HTR3A (0.41) GBA1ADORA3CA12CA1CA2
SCHEMBL29348181 0.86 ITPR1 (0.42) GBA1ADORA3CA12CA1CA2
SCHEMBL19927822 0.84 P2RY6 (0.48) ADORA3CA12CA1CA2CA9
SCHEMBL14013421 0.84 MEN1 (0.49) GBA1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080274907-A1 FLUOROGENIC PH SENSITIVE DYES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2008-11-06 — — 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-20080274907-A1 FLUOROGENIC PH SENSITIVE DYES AND THEIR METHOD OF USE SLC11A2, MAN2B1, CD47 GBA1 10/4885ADORA3 2921/4885CA12 1018/4885

“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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