SCHEMBL6463047

SCHEMBL6463047

CCCC(C)CCOc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
KCNA3 P22001 1/20 0.50
SIGMAR1 Q99720 1/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
CHRNA7 P36544 2/20 0.47
CHRNA4 P43681 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
HTR1B P28222 2/20 0.46
LMNA P02545 2/20 0.46
HTR1D P28221 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
RECQL P46063 1/20 0.45
MLNR O43193 1/20 0.44
NR1I2 O75469 1/20 0.44
ESR1 P03372 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44

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
SCHEMBL9503356 0.92 KCNA3 (0.58) LTA4HKCNA3SIGMAR1CHRNB2CHRNB4
SCHEMBL11581933 0.87 LTA4H (0.59) LTA4HKCNA3SIGMAR1TDP1HTR1B
SCHEMBL28601360 0.87 KCNA3 (0.55) LTA4HKCNA3CHRNB2CHRNB4CHRNA3
SCHEMBL11583149 0.86 KCNA3 (0.52) LTA4HKCNA3SIGMAR1CHRNB2CHRNB4
SCHEMBL11582141 0.83 LTA4H (0.61) LTA4HKCNA3CHRNB2CHRNB4CHRNA3
SCHEMBL27330236 0.82 LMNA (0.57) LMNAMAOA
SCHEMBL4762110 0.81 KCNA3 (0.52) LTA4HKCNA3SIGMAR1TDP1HTR1B
SCHEMBL7536898 0.81 KCNA3 (0.52) LTA4HKCNA3SIGMAR1TDP1HTR1B
SCHEMBL24741070 0.81 ALDH1A1 (0.55) LTA4HKCNA3SIGMAR1CHRNB2CHRNB4
SCHEMBL8313050 0.81 KCNA3 (0.50) LTA4HKCNA3SIGMAR1CHRNB2CHRNB4

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
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
EP-1495034-A2 MIMICS OF ACYL COENZYME-A COMPRISING PANTOLACTONE AND PANTOTHENIC ACID DERIVATIVES, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics, Inc. (US) 2005-01-12 EP disclosed
WO-2003087040-A2 MIMICS OF ACYL COENZYME-A COMPRISING PANTOLACTONE AND PANTOTHENIC ACID DERIVATIVES, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2003-10-23 WO disclosed
US-4066707-A METHOD FOR MANUFACTURE OF DIPHENOLS AND MONOALKYL ETHERS OF DIPHENOLS AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JA) 1978-01-03 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-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 LTA4H 3694/4885KCNA3 2788/4885SIGMAR1 645/4885

“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.