SCHEMBL16079573

SCHEMBL16079573

O=C(c1cc(O)ccc1Cl)N1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.75
TSHR P16473 2/20 0.63
MAPT P10636 1/20 0.63
HSP90AA1 P07900 1/20 0.61
PKM P14618 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.57
MGLL Q99685 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA3 P07451 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA13 Q8N1Q1 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55

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
SCHEMBL1042677 0.86 KDM4E (1.00) KDM4ETSHRMAPTHSP90AA1PKM
SCHEMBL12569381 0.83 KDM4E (0.73) KDM4ETSHRMAPTHSP90AA1PKM
SCHEMBL15597416 0.83 KDM4E (0.73) KDM4ETSHRMAPTHSP90AA1PKM
SCHEMBL4469583 0.81 TSHR (0.71) KDM4ETSHRMAPTHSP90AA1PKM
SCHEMBL20214134 0.81 KDM4E (0.69) KDM4ETSHRMAPTHSP90AA1PKM
SCHEMBL29953598 0.81 KDM4E (0.69) KDM4ETSHRMAPTHSP90AA1PKM
SCHEMBL12546090 0.80 KDM4E (0.68) KDM4ETSHRMAPTHSP90AA1PKM
SCHEMBL12816591 0.80 KDM4E (0.68) KDM4ETSHRMAPTHSP90AA1PKM
(2-Chlorophenyl)(Morpholino)Methanone SCHEMBL6938284 0.79 MGLL (0.68) KDM4ETSHRMAPTHSP90AA1HTT
SCHEMBL22766914 0.79 SMN1; SMN2 (0.73) KDM4EMAPTKMT2AHPGDSMN1; SMN2

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-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 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-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 KDM4E 3549/4885TSHR 4540/4885MAPT 2951/4885

“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.