SCHEMBL894078

SCHEMBL894078

CCOP(=O)(O)Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
PPARD Q03181 1/20 0.42
POLB P06746 2/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HDAC1 Q13547 1/20 0.39
ENPP2 Q13822 1/20 0.39
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL17488978 0.90 PPARD (0.50) PPARDPOLBHDAC1ENPP2NR1I2
SCHEMBL1489170 0.83 NPY5R (0.45) ALDH1A1POLBAPEX1TDP1KDM4E
SCHEMBL915441 0.83 PPARD (0.44) ALDH1A1PPARDPOLBKDM4EHDAC1
SCHEMBL914541 0.83 PPARD (0.44) ALDH1A1PPARDPOLBKDM4EHDAC1
SCHEMBL12648165 0.81 PPARD (0.42) PPARDPOLBHDAC1ENPP2
SCHEMBL914602 0.81 PPARD (0.42) ALDH1A1PPARDPOLBTDP1KDM4E
SCHEMBL5051393 0.81 KMT2A (0.44) PPARDPOLBHDAC1ENPP2KMT2A
SCHEMBL915280 0.81 FDPS (0.46) ALDH1A1PPARDPOLBTDP1HDAC1
SCHEMBL915800 0.81 TSHR (0.52) PPARDPOLBKMT2ANR1I2GAA
SCHEMBL1401011 0.80 TDP1 (0.45) ALDH1A1POLBAPEX1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500417-A ANTIARTHRITIC THE UPJOHN COMPANY (US) 1996-03-19 US claimed
EP-0661978-A1 ARYLMETHYLPHOSPHONATES AND PHOSPHONIC ACIDS USEFUL AS ANTI-INFLAMMATORY AGENTS PHARMACIA & UPJOHN COMPANY (US) 1995-07-12 EP claimed
WO-1994007501-A1 ARYLMETHYLPHOSPHONATES AND PHOSPHONIC ACIDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1994-04-14 WO claimed
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
WO-2006086609-A2 INHIBITORS OF TRYPTASE AXYS PHARMACEUTICALS, INC. (US) 2006-08-17 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 ALDH1A1 2984/4885PPARD 4109/4885POLB 1986/4885
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC ALDH1A1 2984/4885PPARD 4109/4885POLB 1986/4885
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC ALDH1A1 2984/4885PPARD 4109/4885POLB 1986/4885
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC ALDH1A1 2984/4885PPARD 4109/4885POLB 1986/4885
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC ALDH1A1 2984/4885PPARD 4109/4885POLB 1986/4885

“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.