SCHEMBL17899401

SCHEMBL17899401

CC(C)OCCOCCOc1ccc(Oc2cc(C(N)=O)ccc2C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
MAOB P27338 3/20 0.41
PARP10 Q53GL7 4/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHEK2 O96017 2/20 0.38
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
LTB4R Q15722 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
RARB P10826 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
SRD5A2 P31213 1/20 0.35
PRSS1 P07477 1/20 0.35
MAPK1 P28482 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
SCHEMBL21697489 0.87 PARP10 (0.45) SLC6A2SLC6A4MAOBPARP10MAPT
SCHEMBL17888657 0.84 PARP10 (0.42) SLC6A2SLC6A4PARP10MAPTKDM4E
SCHEMBL6310151 0.76 PARP10 (0.65) MAOBPARP10MAPTPRSS1MAPK1
SCHEMBL17899375 0.75 CHEK2 (0.39) SLC6A2SLC6A4MAOBPARP10MAPT
SCHEMBL21697477 0.74 PARP10 (0.54) SLC6A2SLC6A4MAOBPARP10MAPT
SCHEMBL17888521 0.72 ICAM1 (0.41) SLC6A2SLC6A4MAOBPARP10KDM4E
SCHEMBL21864684 0.69 CHEK2 (0.41) PARP10CHEK2RARB
SCHEMBL17899369 0.69 SLC6A2 (0.38) SLC6A2SLC6A4PARP10MAPTKDM4E
SCHEMBL23395406 0.69 LMNA (0.39) PARP10MAPTKDM4ESMN1; SMN2TSHR
SCHEMBL6135839 0.68 THRA (0.49) SLC6A2SLC6A4MAOBKDM4ESMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-05-25 US disclosed
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-04-08 US disclosed
EP-3607944-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR Kyoto Pharmaceutical Industries, Ltd. (JP) 2020-02-12 EP disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 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 (3 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-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI SLC6A2 344/4885SLC6A4 820/4885MAOB 595/4885
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR CCNI, CDK9, CDK8 SLC6A2 4668/4885SLC6A4 4646/4885MAOB 3903/4885
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor CCNI, CDK9, CDKN1A SLC6A2 4701/4885SLC6A4 4670/4885MAOB 3969/4885

“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.