SCHEMBL894405

SCHEMBL894405

CC(C)OP(=O)(CC1CC1)OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL19956786 0.75 SPHK1 (0.40) ALDH1A1
SCHEMBL20065595 0.74 CTSA (0.34) CTSAACHEKDM4EALDH1A1POLB
SCHEMBL29681925 0.72 KDM4E (0.31) CTSAACHEKDM4EALDH1A1POLB
SCHEMBL2030925 0.71 CTSA (0.41) CTSAACHEKDM4EALDH1A1POLB
SCHEMBL21925055 0.70 TSHR (0.50) ACHE
SCHEMBL4963603 0.70 CTSA (0.34) CTSAACHEKDM4EALDH1A1POLB
SCHEMBL525985 0.69 CTSA (0.48) CTSAACHEKDM4EALDH1A1POLB
SCHEMBL114969 0.69 CTSA (0.48) CTSAACHEKDM4EALDH1A1POLB
SCHEMBL11185252 0.69 SMN1; SMN2 (0.34) CTSAACHEKDM4EALDH1A1POLB
SCHEMBL28937458 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-05-03 US disclosed
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-05 US disclosed
US-8067395-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2011-11-29 US disclosed
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2010-02-11 US disclosed
US-7625880-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2009-12-01 US disclosed
EP-1981888-A2 INHIBITORS OF TYROSINE KINASES AND USES THEREOF Pharmacyclics, Inc. (US) 2008-10-22 EP disclosed
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2008-02-14 US disclosed
WO-2007087068-A2 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2007-08-02 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 (5 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-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CTSA 2212/4885ACHE 3396/4885KDM4E 2460/4885
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CTSA 2212/4885ACHE 3396/4885KDM4E 2460/4885
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CTSA 2212/4885ACHE 3396/4885KDM4E 2460/4885
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CTSA 2212/4885ACHE 3396/4885KDM4E 2460/4885
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CTSA 2212/4885ACHE 3396/4885KDM4E 2460/4885

“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.