SCHEMBL112624

SCHEMBL112624

Cc1cc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1Br

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
HPGD P15428 1/20 0.31
RXRG P48443 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
SCHEMBL111131 0.90 TEAD1 (0.34)
SCHEMBL112631 0.88 PDE3B (0.31) PDE3BPDE3AHPGD
SCHEMBL30309323 0.87 KDM4E (0.32) PDE3BPDE3A
SCHEMBL16681127 0.87 KDM4E (0.32) PDE3BPDE3A
SCHEMBL28652708 0.86 HTT (0.33) PDE3BPDE3AHPGD
SCHEMBL112187 0.86 CA1 (0.33) PDE3BPDE3AHPGD
SCHEMBL1609370 0.85 PDE3B (0.33) PDE3BPDE3A
SCHEMBL3362522 0.84 PDE3B (0.31) PDE3BPDE3A
SCHEMBL3362297 0.84 PDE3B (0.34) PDE3BPDE3AHPGD
SCHEMBL1611558 0.84 PDE3B (0.32) PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751821-B1 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-09-05 US disclosed
US-20170233321-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-17 US disclosed
US-9676692-B2 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-13 US disclosed
US-20150119576-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND NISSAN CHEMICAL CORPORATION (JP) 2015-04-30 US disclosed
US-9006447-B2 Method for preparing substituted isoxazoline compounds and their precursors 4-chloro, 4-bromo- or 4-iodobenzaldehyde oximes BASF SE (DE) 2015-04-14 US disclosed
US-9006447-B2 Method for preparing substituted isoxazoline compounds and their precursors 4-chloro, 4-bromo- or 4-iodobenzaldehyde oximes BASF SE (DE) 2015-04-14 US disclosed
US-8952175-B2 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-02-10 US disclosed
EP-2424862-B1 PROCESS FOR PREPARING SUBSTITUTED ISOXAZOLINE COMPOUNDS AND THEIR PRECURSORS BASF SE (DE) 2014-10-08 EP disclosed
US-8853410-B2 Process for preparing substituted isoxazoline compounds and their precursors BASF SE (DE) 2014-10-07 US disclosed
US-8853410-B2 Process for preparing substituted isoxazoline compounds and their precursors BASF SE (DE) 2014-10-07 US disclosed
US-20130225826-A1 Method for preparing substituted isoxazoline compounds and their precursors 4-chloro, 4-bromo- or 4-iodobenzaldehyde oximes BASF SE (DE) 2013-08-29 US disclosed
US-20130225826-A1 Method for preparing substituted isoxazoline compounds and their precursors 4-chloro, 4-bromo- or 4-iodobenzaldehyde oximes BASF SE (DE) 2013-08-29 US disclosed
WO-2012059441-A2 METHOD FOR PREPARING SUBSTITUTED ISOXAZOLINE COMPOUNDS AND THEIR PRECURSORS 4-CHLORO, 4-BROMO- OR 4-IODOBENZALDEHYDE OXIMES BASF SE (DE) 2012-05-10 WO disclosed
US-20120059171-A1 Process for Preparing Substituted Isoxazoline Compounds and Their Precursors BASF SE (DE) 2012-03-08 US disclosed
US-20120059171-A1 Process for Preparing Substituted Isoxazoline Compounds and Their Precursors BASF SE (DE) 2012-03-08 US disclosed
WO-2010125130-A1 PROCESS FOR PREPARING SUBSTITUTED ISOXAZOLINE COMPOUNDS AND THEIR PRECURSORS BASF SE (DE) 2010-11-04 WO disclosed
US-20100137612-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND FOR PRODUCTION OF 2- PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZLINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-03 US disclosed
EP-2172462-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND, AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-04-07 EP 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-20150119576-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND ADH1C, ADH1A, CYP2E1 PDE3B 1249/4885PDE3A 750/4885RXRA 1479/4885
US-20100137612-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND FOR PRODUCTION OF 2- PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZLINE COMPOUND ADH1C, CYP2E1, ADH1A PDE3B 1601/4885PDE3A 779/4885RXRA 1824/4885
US-20130225826-A1 Method for preparing substituted isoxazoline compounds and their precursors 4-chloro, 4-bromo- or 4-iodobenzaldehyde oximes CYP4X1, CYP4B1, AOX1 PDE3B 660/4885PDE3A 1206/4885RXRA 1229/4885
US-20120059171-A1 Process for Preparing Substituted Isoxazoline Compounds and Their Precursors CYP4X1, CYP3A7, CYP1B1 PDE3B 620/4885PDE3A 1110/4885RXRA 489/4885
US-20170233321-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND ADH1C, ADH1A, CYP2E1 PDE3B 1249/4885PDE3A 750/4885RXRA 1479/4885

“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.