SCHEMBL6470644

SCHEMBL6470644

[CH2]CCCOc1c(C)cccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
SCN8A Q9UQD0 9/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SCN4A P35499 6/20 0.47
SCN1A P35498 2/20 0.47
SCN5A Q14524 2/20 0.47
SCN9A Q15858 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
KCNK3 O14649 1/20 0.47

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
SCHEMBL2819383 0.94 ALDH1A1 (0.53) ALDH1A1SCN8AKDM4ELMNAMEN1
SCHEMBL6481244 0.89 ALDH1A1 (0.50) ALDH1A1SCN8AKDM4ELMNAMEN1
SCHEMBL11108314 0.81 SMN1; SMN2 (0.47) ALDH1A1SCN8AKDM4ELMNAMEN1
SCHEMBL4382775 0.80 ALDH1A1 (0.55) ALDH1A1SCN8AKDM4ELMNAMEN1
SCHEMBL6373909 0.80 ALDH1A1 (0.55) ALDH1A1SCN8AKDM4ELMNAMEN1
SCHEMBL293013 0.79 SCN4A (0.52) ALDH1A1SCN8AKDM4ELMNAMEN1
SCHEMBL23817559 0.78 ALDH1A1 (0.54) ALDH1A1SCN8AKDM4ELMNAMEN1
SCHEMBL10768133 0.78 ALDH1A1 (0.53) ALDH1A1SCN8AKDM4ELMNAMEN1
SCHEMBL6928489 0.78 SCN4A (0.53) ALDH1A1SCN8AKDM4ELMNAMEN1
SCHEMBL1991553 0.77 ALDH1A1 (0.52) ALDH1A1SCN8AKDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107468-A1 Process for the preparation of an enantiomerically enriched thio compound DSM IP ASSETS B.V. (NL) 2005-05-19 US disclosed
EP-1453797-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED THIO COMPOUND DSM IP Assets B.V. (NL) 2004-09-08 EP disclosed
EP-1325908-A1 Process for the preparation of an enantiomerically enriched thio compound DSM N.V. (NL) 2003-07-09 EP disclosed
WO-2003051827-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED THIO COMPOUND DSM IP ASSETS B.V. (NL) 2003-06-26 WO 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-20050107468-A1 Process for the preparation of an enantiomerically enriched thio compound SLC7A1, TCP1, TFRC ALDH1A1 1036/4885SCN8A 2112/4885KDM4E 2320/4885

“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.