SCHEMBL19019672

SCHEMBL19019672

CC1(C)OB(c2ccc(Oc3ccc(N)cn3)cc2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 2/20 0.54
RAB9A P51151 1/20 0.54
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
ALDH1A1 P00352 1/20 0.46
BRCA1 P38398 1/20 0.46
HBB P68871 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DGAT1 O75907 2/20 0.42
LIPE Q05469 5/20 0.41
KEAP1 Q14145 1/20 0.40
LPL P06858 4/20 0.40
LIPG Q9Y5X9 4/20 0.40
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL15383840 0.84 KDM4E (0.44) KDM4EMEN1KMT2ARAB9ACA1
SCHEMBL14746564 0.83 LPL (0.53) KDM4EMEN1KMT2ACA1CA2
SCHEMBL14746622 0.83 LIPE (0.46) CA1CA2CA9DGAT1LIPE
SCHEMBL15989442 0.83 CA1 (0.49) MEN1KMT2ACA1CA2CA9
SCHEMBL16023927 0.82 PTGS1 (0.41) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL31491396 0.81 DGAT1 (0.47) KDM4EPOLBCA1CA2CA9
SCHEMBL14165741 0.81 LPL (0.53) KDM4EMEN1KMT2ACA1CA2
SCHEMBL805967 0.80 LIPE (0.60) RAB9ALIPE
SCHEMBL30297686 0.80 DGAT1 (0.52) CA1CA2CA9ALDH1A1DGAT1
SCHEMBL5784394 0.80 DGAT1 (0.52) CA1CA2CA9ALDH1A1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110655502-A Acid addition salts of Trk inhibiting compounds 小野药品工业株式会社 2020-01-07 CN disclosed
US-10399959-B2 Acid-addition salt of Trk-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2019-09-03 US disclosed
EP-3184519-B1 ACID-ADDITION SALT OF TRK-INHIBITING COMPOUND ONO PHARMACEUTICAL CO (JP) 2019-04-24 EP disclosed
US-20170240527-A1 ACID-ADDITION SALT OF Trk-INHIBITING COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-24 US disclosed
EP-3184519-A1 ACID-ADDITION SALT OF Trk-INHIBITING COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2017-06-28 EP 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-20170240527-A1 ACID-ADDITION SALT OF Trk-INHIBITING COMPOUND NTRK1, NGF, NTRK2 KDM4E 4148/4885MEN1 1774/4885KMT2A 3744/4885
US-10399959-B2 Acid-addition salt of Trk-inhibiting compound NTRK1, NGF, NTRK2 KDM4E 4148/4885MEN1 1774/4885KMT2A 3744/4885

“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.