SCHEMBL895000

SCHEMBL895000

O=C(O)C1(C(=O)O)CCP(=O)(c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.38
AKR1C1 Q04828 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 1/20 0.33
RBP4 P02753 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2C9 P11712 1/20 0.31
HDAC4 P56524 1/20 0.30

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
SCHEMBL894940 0.81 DDB1 (0.44) KMT2ATDP1
SCHEMBL894938 0.76 DDB1 (0.46) KMT2ATDP1
SCHEMBL17447179 0.76 HPGD (0.50) HPGDMEN1KMT2ACYP2C9
SCHEMBL13205026 0.76 HPGD (0.50) HPGDMEN1KMT2ACYP2C9
SCHEMBL20921288 0.76 HPGD (0.40) HPGDMEN1KMT2ACYP2C9
SCHEMBL24797720 0.72 HPGD (0.47) HPGDMEN1KMT2A
SCHEMBL12758170 0.72 HPGD (0.47) HPGDMEN1KMT2A
SCHEMBL2991715 0.72 HPGD (0.47) HPGDMEN1KMT2A
SCHEMBL13205037 0.72 HPGD (0.47) HPGDMEN1KMT2A
SCHEMBL10791356 0.70 HPGD (0.45) HPGDMEN1KMT2A

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 22 patents — showing the first 20. 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-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-05-03 US disclosed
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-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-26 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-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-05 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-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2010-02-11 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
US-7625880-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2009-12-01 US disclosed
US-7625880-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2009-12-01 US disclosed
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2008-02-14 US disclosed
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2008-02-14 US 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 CYP2D6 3066/4885HPGD 1544/4885AKR1C1 3271/4885
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CYP2D6 3066/4885HPGD 1544/4885AKR1C1 3271/4885
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CYP2D6 3066/4885HPGD 1544/4885AKR1C1 3271/4885
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CYP2D6 3066/4885HPGD 1544/4885AKR1C1 3271/4885
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CYP2D6 3066/4885HPGD 1544/4885AKR1C1 3271/4885

“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.