SCHEMBL781850

SCHEMBL781850

CC(=Cc1ccccc1)C(=O)Br

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.72
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.53
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
DHODH Q02127 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
RECQL P46063 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
FBP1 P09467 2/20 0.48
GLA P06280 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
AKR1C1 Q04828 1/20 0.47
F2 P00734 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL581982 0.84 AKR1C3 (1.00) AKR1C3ALDH1A1TSHRHTTRAB9A
SCHEMBL16568719 0.84 AKR1C3 (1.00) AKR1C3ALDH1A1TSHRHTTRAB9A
SCHEMBL37034 0.84 AKR1C3 (1.00) AKR1C3ALDH1A1TSHRHTTRAB9A
SCHEMBL805622 0.84 AKR1C3 (0.75) AKR1C3ALDH1A1TSHRHTTRAB9A
SCHEMBL41906 0.84 AKR1C3 (1.00) AKR1C3ALDH1A1TSHRHTTRAB9A
SCHEMBL759656 0.84 AKR1C3 (0.75) AKR1C3ALDH1A1TSHRHTTRAB9A
SCHEMBL759655 0.84 AKR1C3 (0.75) AKR1C3ALDH1A1TSHRHTTRAB9A
SCHEMBL874087 0.84 AKR1C3 (0.75) AKR1C3ALDH1A1TSHRHTTRAB9A
SCHEMBL2532810 0.84 AKR1C3 (0.75) AKR1C3ALDH1A1TSHRHTTRAB9A
SCHEMBL23458002 0.83 AKR1C3 (0.73) AKR1C3ALDH1A1TSHRHTTRAB9A

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2517895-B1 ARTIFICIAL MARBLE HAVING TRANSPARENT AMORPHOUS PATTERN CHEIL IND INC (KR) 2016-02-17 EP claimed
EP-0745621-B1 Polymerisable composition based on thio(meth)acrylate monomer, transparent polymer compositions and their optical use ESSILOR INT (FR) 1998-04-15 EP claimed
EP-0745621-A1 Polymerisable composition based on thio(meth)acrylate monomer, transparent polymer compositions and their optional use ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-12-04 EP claimed
WO-2020149384-A1 SEALING AGENT, CURED BODY, ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE, AND METHOD FOR PRODUCING DEVICE デンカ株式会社 2020-07-23 WO disclosed
EP-2695930-B1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLARIZED LIGHT-EMITTING COATING MATERIAL, NOVEL NAPHTHOLACTAM DERIVATIVE, NOVEL COUMARIN DERIVATIVE, NOVEL NILE RED DERIVATIVE, AND NOVEL ANTHRACENE DERIVATIVE DAINIPPON INK & CHEMICALS (JP) 2019-09-11 EP disclosed
US-9677286-B2 Conductive flooring material and a production method therefor LG HAUSYS, LTD. (KR) 2017-06-13 US disclosed
US-9644078-B2 Release film and method for manufacturing the same LG HAUSYS, LTD. (KR) 2017-05-09 US disclosed
US-9475991-B2 Polymerizable liquid crystal composition, polarized light-emitting coating material, novel naphtholactam derivative novel coumarin derivative, novel nile red derivative, and novel anthracene derivative ADEKA CORPORATION (JP) 2016-10-25 US disclosed
EP-1944656-B1 TONER FOR DEVELOPING ELECTROSTATIC IMAGES, TONER KITS, AND IMAGE FORMATION EQUIPMENT RICOH CO LTD (JP) 2016-05-04 EP disclosed
US-20160096910-A1 CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING SAME ZEON CORPORATION (JP) 2016-04-07 US disclosed
US-20160053040-A1 REINFORCING AGENT FOR POLYCARBONATE RESIN, POLYCARBONATE RESIN COMPOSITION, AND MOLDED ARTICLE MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-25 US disclosed
US-20030142267-A1 Photochromic contact lenses and methods of manufacturing TRANSITIONS OPTICAL LIMITED (IE) 2003-07-31 US disclosed
US-20030022080-A1 Toner, developer, and image forming method and apparatus RICOH COMPANY LIMITED (JP) 2003-01-30 US disclosed
US-6472488-B2 MONOMERS CONTAIN THIO-CONTAINING HETEROCYCLES; USE IN MANUFACTURE OF WAVEGUIDES, OPTICAL FIBERS AND SPECTACLE LENSES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2002-10-29 US disclosed
EP-1248158-A1 Toner, developer, and image forming method and apparatus Ricoh Company, Ltd. (JP) 2002-10-09 EP disclosed
EP-0745621-B1 Polymerisable composition based on thio(meth)acrylate monomer, transparent polymer compositions and their optical use ESSILOR INT (FR) 1998-04-15 EP disclosed
EP-0745620-B1 Polymerisable compositions based on thio(meth)acrylate monomers, polymers having low yellowness index made from these compositions and ophthalmic lenses made therefrom ESSILOR INT (FR) 1997-10-29 EP disclosed
EP-0745621-A1 Polymerisable composition based on thio(meth)acrylate monomer, transparent polymer compositions and their optional use ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-12-04 EP disclosed
EP-0745620-A1 Polymerisable compositions based on thio(meth)acrylate monomers, polymers having low yellowness index made from these compositions and ophthalmic lenses made therefrom ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-12-04 EP disclosed
US-4704006-A HIGH REFRACTIVE INDEX, DYEABILITY, SOLVENT RESISTANCE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-11-03 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-20160096910-A1 CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING SAME PCNA, TELO2, MSN AKR1C3 3277/4885ALDH1A1 3348/4885TSHR 581/4885

“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.