SCHEMBL4164469

SCHEMBL4164469

CCOC(=O)c1cc2ccc(N(C)C)cc2cc1C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MAOB P27338 3/20 0.50
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ CA12 O43570 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA7 P43166 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ CA14 Q9ULX7 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ MIF P14174 1/20 0.45
▸ PFKFB3 Q16875 1/20 0.45

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
SCHEMBL11669735 0.85 TSHR (0.56) RAB9AMEN1KMT2AMAOBTSHR
SCHEMBL2911594 0.79 MAOB (0.80) MEN1KMT2AMAOBALDH1A1CA12
SCHEMBL28690961 0.79 TSHR (0.59) MEN1KMT2AMAOBTSHRALDH1A1
SCHEMBL10900936 0.78 TSHR (0.66) RAB9AMEN1KMT2AMAOBTSHR
SCHEMBL4440051 0.78 ALDH1A1 (0.57) RAB9AMEN1KMT2ATSHRALDH1A1
SCHEMBL11669017 0.78 TSHR (0.51) RAB9AMEN1KMT2AMAOBTSHR
SCHEMBL4173474 0.78 SLC16A3 (0.51) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL8927648 0.78 TSHR (0.70) RAB9AMEN1KMT2AMAOBTSHR
SCHEMBL29389855 0.78 TSHR (0.70) RAB9AMEN1KMT2AMAOBTSHR
SCHEMBL21273274 0.76 SIRT2 (0.44) RAB9AMAOBALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082577-A1 FLUORESCENT PROBES FOR BIOLOGICAL STUDIES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-03-26 — — US disclosed
US-20090082577-A1 FLUORESCENT PROBES FOR BIOLOGICAL STUDIES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-03-26 — — US disclosed
US-20090082577-A1 FLUORESCENT PROBES FOR BIOLOGICAL STUDIES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-03-26 — — US disclosed
US-7442529-B2 Fluorescent probes for biological studies MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-28 — — US disclosed
US-7442529-B2 Fluorescent probes for biological studies MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-28 — — US disclosed
US-20060234206-A1 Fluorescent probes for biological studies MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2006-10-19 — — 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-20090082577-A1 FLUORESCENT PROBES FOR BIOLOGICAL STUDIES FABP1, FABP3, FABP2 RAB9A 2495/4885MEN1 3427/4885KMT2A 4823/4885
US-20060234206-A1 Fluorescent probes for biological studies FABP1, FABP3, FABP2 RAB9A 2495/4885MEN1 3427/4885KMT2A 4823/4885

“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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