SCHEMBL9946003

SCHEMBL9946003

Cc1cc(OC(C)C)ccc1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
KDM4E B2RXH2 4/20 0.49
CARM1 Q86X55 1/20 0.49
ALDH1A1 P00352 2/20 0.46
FKBP1A P62942 1/20 0.46
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
PARP10 Q53GL7 1/20 0.42
BRD4 O60885 1/20 0.42
BRPF1 P55201 1/20 0.42
ALDH1A3 P47895 1/20 0.41

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
SCHEMBL26862826 0.85 ALDH1A1 (0.44) TDP1PLA2G1BATG4BKDM4ECARM1
SCHEMBL28984986 0.84 KDM4E (0.50) TDP1PLA2G1BATG4BKDM4ECARM1
SCHEMBL12889913 0.84 ALDH1A1 (0.47) TDP1PLA2G1BATG4BKDM4EALDH1A1
SCHEMBL12883131 0.83 TDP1 (0.48) TDP1PLA2G1BATG4BKDM4ECARM1
SCHEMBL19122573 0.83 TDP1 (0.41) TDP1PLA2G1BATG4BKDM4ECARM1
SCHEMBL3904552 0.83 TDP1 (0.58) TDP1PLA2G1BATG4BKDM4ECARM1
SCHEMBL848282 0.83 KDM4E (0.49) TDP1PLA2G1BATG4BKDM4ECARM1
SCHEMBL10153872 0.82 TDP1 (0.62) TDP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11482491 0.81 TDP1 (0.57) TDP1PLA2G1BATG4BKDM4ECARM1
SCHEMBL10348376 0.81 TDP1 (0.49) TDP1PLA2G1BATG4BKDM4ECARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382865-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-30 US disclosed
US-20230242504-A1 DEUTERIUM-ENRICHED PIPERIDINONYL-OXOISOINDOLINYL ACETAMIDES AND METHODS OF TREATING MEDICAL DISORDERS USING SAME DEUTERX LLC (US) 2023-08-03 US disclosed
US-20230242504-A1 DEUTERIUM-ENRICHED PIPERIDINONYL-OXOISOINDOLINYL ACETAMIDES AND METHODS OF TREATING MEDICAL DISORDERS USING SAME DEUTERX LLC (US) 2023-08-03 US disclosed
US-11535603-B1 Deuterium-enriched piperidinonyl-oxoisoindolinyl acetamides and methods of treating medical disorders using same DEUTERX, LLC (US) 2022-12-27 US disclosed
EP-3386991-B1 POLYCYCLIC COMPOUNDS AS INHIBITORS OF BRUTON'S TYROSINE KINASE JANSSEN PHARMACEUTICA NV (BE) 2020-06-03 EP disclosed
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-20 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 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 (9 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-20230382865-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF KDM5A, KDM5B, KDM5C TDP1 269/4885PLA2G1B 3767/4885ATG4B 2630/4885
US-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 TDP1 3577/4885PLA2G1B 872/4885ATG4B 1551/4885
US-20230242504-A1 DEUTERIUM-ENRICHED PIPERIDINONYL-OXOISOINDOLINYL ACETAMIDES AND METHODS OF TREATING MEDICAL DISORDERS USING SAME EGLN3, HPGDS, EGLN2 TDP1 4238/4885PLA2G1B 1411/4885ATG4B 1476/4885
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 TDP1 3870/4885PLA2G1B 1980/4885ATG4B 3491/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 TDP1 3870/4885PLA2G1B 1980/4885ATG4B 3491/4885
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 TDP1 3694/4885PLA2G1B 2266/4885ATG4B 4177/4885
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ1, KCNC1 TDP1 3694/4885PLA2G1B 2266/4885ATG4B 4177/4885
US-11535603-B1 Deuterium-enriched piperidinonyl-oxoisoindolinyl acetamides and methods of treating medical disorders using same EGLN3, HPGDS, EGLN2 TDP1 4238/4885PLA2G1B 1411/4885ATG4B 1476/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TDP1 4837/4885PLA2G1B 1749/4885ATG4B 4193/4885

“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.