SCHEMBL449703

SCHEMBL449703

C=C(CCCOc1c(Br)cc(Br)cc1Br)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.44
THRB P10828 6/20 0.44
KDM4E B2RXH2 6/20 0.44
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.39
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
KLK1 P06870 1/20 0.38
MCHR1 Q99705 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
SCHEMBL5586405 0.92 THRB (0.42) THRATHRBKDM4EMEN1KMT2A
SCHEMBL7067550 0.86 THRA (0.40) THRATHRBKDM4EMEN1KMT2A
SCHEMBL3177108 0.84 THRA (0.38) THRATHRBKDM4EMEN1KMT2A
SCHEMBL7067194 0.82 THRA (0.50) THRATHRBKDM4EMEN1KMT2A
SCHEMBL8897387 0.81 AKR1B1 (0.43) THRATHRBKDM4EMEN1KMT2A
SCHEMBL7066894 0.81 THRA (0.41) THRATHRBKDM4EMEN1KMT2A
SCHEMBL7065792 0.81 THRA (0.41) THRATHRBKDM4EMEN1KMT2A
SCHEMBL453710 0.80 HTR1B (0.52) KDM4EMEN1KMT2ACYP1A2CYP2D6
SCHEMBL7067884 0.79 THRB (0.40) THRATHRBKDM4EMEN1KMT2A
SCHEMBL7063664 0.79 THRA (0.52) THRATHRBKDM4EMEN1KMT2A

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
EP-0441383-B1 Use of a copolymer for the making of contact lenses MITSUBISHI RAYON CO (JP) 1996-05-08 EP claimed
US-8778636-B2 Chemo-enzymatic approach to the synthesis of pimecrolimus EUTICALS S.P.A. (IT) 2014-07-15 US disclosed
US-20120064575-A1 CHEMO-ENZYMATIC APPROACH TO THE SYNTHESIS OF PIMECROLIMUS AMRI ITALY S.R.L. (IT) 2012-03-15 US disclosed
US-7849022-B2 Optical functional sheet, and display device FUJIFILM CORPORATION (JP) 2010-12-07 US disclosed
US-20080013341-A1 OPTICAL FUNCTIONAL SHEET, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2008-01-17 US disclosed
US-20030096172-A1 Hologram recording material composition and hologram recording medium DAISO CO., LTD. (JP) 2003-05-22 US disclosed
EP-0530082-B1 Curable composition for use in optical fiber cladding and optical fiber equipped therewith DAINIPPON INK & CHEMICALS (JP) 1997-05-21 EP disclosed
US-5333234-A Curable composition for use in optical fiber cladding and optical fiber equipped therewith DAINIPPON INK AND CHEMCIALS, INC. (JP) 1994-07-26 US disclosed
EP-0530082-A1 Curable composition for use in optical fiber cladding and optical fiber equipped therewith DAINIPPON INK AND CHEMICALS, INC. (JP) 1993-03-03 EP disclosed
US-4829101-A SHELL-CORE POLYMERS ROHM GMBH (DE) 1989-05-09 US disclosed
US-4806348-A Method for inducing antibody formation ROHM GMBH (DE) 1989-02-21 US disclosed
US-4710525-A SHELL-CORE ROHM GMBH (DE) 1987-12-01 US disclosed
US-4059545-A Crosslinked styrene polymer foam having suppressed ignition properties THE DOW CHEMICAL COMPANY (US) 1977-11-22 US 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-20120064575-A1 CHEMO-ENZYMATIC APPROACH TO THE SYNTHESIS OF PIMECROLIMUS CYP51A1, PIM1, COASY THRA 4683/4885THRB 4681/4885KDM4E 603/4885

“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.