SCHEMBL2223320

SCHEMBL2223320

CC1(C)CC(CI)CCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNH2 Q12809 3/20 0.31
SCN5A Q14524 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL26257709 0.80 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL24575061 0.80 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL1192092 0.80 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL8579946 0.80 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL2199692 0.78 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL13008983 0.78 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL1440711 0.78 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EGAAMAPK1
Hydrochloric Acid SCHEMBL16039598 0.77 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL22519862 0.75 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EGAAMAPK1
SCHEMBL29325186 0.75 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EGAAMAPK1

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
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 ALDH1A1 1673/4885MAPT 2313/4885KDM4E 832/4885

“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.