SCHEMBL20615467

SCHEMBL20615467

CCC(C)Cn1cc(CCO)nn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP19A1 P11511 5/20 0.39
▸ NEU4 Q8WWR8 1/20 0.38
▸ NEU3 Q9UQ49 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ GGPS1 O95749 2/20 0.35
▸ GBA1 P04062 5/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL24713570 0.85 POLB (0.43) POLBKMT2ACYP19A1NEU4NEU3
SCHEMBL10299506 0.83 CYP19A1 (0.54) CYP19A1HRH4HRH3GGPS1GBA1
SCHEMBL13359255 0.79 POLB (0.47) POLBKMT2ACYP19A1HRH4HRH3
SCHEMBL25109460 0.79 CYP19A1 (0.44) CYP19A1HRH4HRH3GGPS1GBA1
SCHEMBL4962353 0.78 POLB (0.39) POLBKMT2ACYP19A1NEU4NEU3
SCHEMBL25109369 0.77 CYP19A1 (0.39) CYP19A1HRH4HRH3GGPS1L3MBTL1
SCHEMBL22062687 0.76 HRH4 (0.47) POLBKMT2ACYP19A1HRH4HRH3
SCHEMBL21954703 0.75 HSP90AB1 (0.40) CYP19A1
SCHEMBL24352447 0.75 RAD52 (0.31) GGPS1
SCHEMBL19956575 0.74 TSHR (0.39) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10676467-B2 Compositions for binding sphingosine-1-phosphate receptor 1 (S1P1), imaging of S1P1, and methods of use thereof WASHINGTON UNIVERSITY (US) 2020-06-09 — — US disclosed
US-20190002450-A1 COMPOSITIONS FOR BINDING SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 (S1P1), IMAGING OF S1P1, AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY (US) 2019-01-03 — — 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-20190002450-A1 COMPOSITIONS FOR BINDING SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 (S1P1), IMAGING OF S1P1, AND METHODS OF USE THEREOF S1PR1, S1PR2, S1PR3 POLB 3855/4885KMT2A 4416/4885CYP19A1 4667/4885
US-10676467-B2 Compositions for binding sphingosine-1-phosphate receptor 1 (S1P1), imaging of S1P1, and methods of use thereof S1PR1, S1PR2, S1PR3 POLB 3855/4885KMT2A 4416/4885CYP19A1 4667/4885

“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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